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MMsINC code: MMs02893557

Type: Neutral
Formula: C₂₀H₁₂ClNO₂

SMILES:

Clc1cc2c(nc(cc2C(O)=O)-c2cc3c(cc2)cccc3)cc1

InChI:

InChI=1/C20H12ClNO2/c21-15-7-8-18-16(10-15)17(20(23)24)11-19(22-18)14-6-5-12-3-1-2-4-13(12)9-14/h1-11H,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.2104 kcal/mol

Physical Properties
Molecular Weight: 333.774 g/mol	logS: -6.95017	SlogP: 5.4066	Reactive groups: 0

Topological Properties
Globularity: 6.06624e-05	Sterimol/B1: 2.10348	Sterimol/B2: 2.1087	Sterimol/B3: 4.86719
Sterimol/B4: 6.03961	Sterimol/L: 17.3315

Surface and Volume Properties
Accessible surface: 560.155	Positive charged surface: 242.609	Negative charged surface: 295.404	Volume: 301.875
Hydrophobic surface: 450.763	Hydrophilic surface: 109.392

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

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Ions/Tautomers related molecules

MMs02893558
PUBCHEM-ZINC02525912