Hyualuronan lyase inhibitoros

TerraQSAR-LOGPTM computed octanol/water partition coefficients (CLOGPs).

For other toxicity and effect values, such as mammalian (rat/mouse) oral LD50, intravenous LD50, fish (fathead minnow) 96-hr LC50, estrogen receptor binding affinity (RBA), use TerraQSAR-OMAR, TerraQSAR-RMIV, TerraQSAR-FHM, and TerraQSAR-E2-RBA programs, or consult TerraBase Inc.

NAME / SMILES CAS FORMULA MWTerraQSAR - LOGP
CC(=O)c1cc(N(=O)=O)c(Cl)s1   C6H4ClNO3S 205.62
2.42
isophthalic acid 121-91-5 C8H6O4 166.13
1.46
terephthalic acid 100-21-0 C8H6O4 166.13
1.46
indole-2-carboxylic acid 1477-50-5 C9H7NO2 161.16
2.31
1,4-benzenediacetic acid 7325-46-4 C10H10O4 194.19
1.63
methyl 3-isoquinolinecarboxylate 27104-73-0 C11H9NO2 187.20
1.12
c1cccc2N(C(=O)C)C(=S)N(C(=O)C)c12   C11H10N2O2S 234.28
0.86
2,8-dinitrodibenzofuran 144280-50-2 C12H6N2O5 258.19
2.43
c1cc(N(=O)=O)ccc1/C=C/C(=O)c2ccco2   C13H9NO4 243.22
2.08
CN(C)/C=C/C(=O)c1cc2CCOc2cc1   C13H15NO2 217.27
2.68
4-benzoylbenzoic acid 611-95-0 C14H10O3 226.23
2.59
diphenylmethylene(methoxyimine) 3376-34-9 C14H13NO 211.26
3.66
N,N-diphenylacetamide 519-87-9 C14H13NO 211.26
3.62
c1cc(N(=O)=O)cc2c(/C=C/C(=O)C)c(C)n(C)c12   C14H14N2O3 258.28
2.51
n1ccccc1c2cc(c3occc3)n(c4ccccc4)n2   C18H13N3O 287.32
3.14
c1cc(C#N)c(C#N)cc1Oc2ccc(OCCCC)cc2   C18H16N2O2 292.34
0.91
C1CN(C(=O)/C=C/C)C(c2ccc(OC)cc2)c3ccsc13   C18H19NO2S 313.42
3.23
COc1ccccc1N2CCN(CC2)C(=O)c3cc(C)ccc3   C19H22N2O2 310.40
2.50


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