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MMsINC code: MMs03068352

Type: Ionized
Formula: C₂₃H₁₇ClNO₂-

SMILES:

Clc1c2c([nH]c(-c3ccc(cc3)-c3ccccc3)c2CC(=O)[O-])c(cc1)C

InChI:

InChI=1/C23H18ClNO2/c1-14-7-12-19(24)21-18(13-20(26)27)23(25-22(14)21)17-10-8-16(9-11-17)15-5-3-2-4-6-15/h2-12,25H,13H2,1H3,(H,26,27)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.0636 kcal/mol

Physical Properties
Molecular Weight: 374.847 g/mol	logS: -7.68242	SlogP: 4.75609	Reactive groups: 0

Topological Properties
Globularity: 0.0291023	Sterimol/B1: 2.05881	Sterimol/B2: 3.07864	Sterimol/B3: 3.67035
Sterimol/B4: 9.59721	Sterimol/L: 18.2864

Surface and Volume Properties
Accessible surface: 622.897	Positive charged surface: 295.612	Negative charged surface: 317.664	Volume: 357.25
Hydrophobic surface: 538.952	Hydrophilic surface: 83.945

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	Acid groups: 2	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Parent related molecule:

MMs03068351
PUBCHEM-ZINC03746282