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MMsINC code: MMs00563183

Type: Neutral
Formula: C₂₀H₁₆ClNO₂

SMILES:

Clc1ccc(cc1)C(Nc1ccccc1C(O)=O)c1ccccc1

InChI:

InChI=1/C20H16ClNO2/c21-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)22-18-9-5-4-8-17(18)20(23)24/h1-13,19,22H,(H,23,24)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.1617 kcal/mol

Physical Properties
Molecular Weight: 337.806 g/mol	logS: -5.42083	SlogP: 5.3352	Reactive groups: 0

Topological Properties
Globularity: 0.299052	Sterimol/B1: 2.46327	Sterimol/B2: 3.18929	Sterimol/B3: 5.80765
Sterimol/B4: 8.81756	Sterimol/L: 14.634

Surface and Volume Properties
Accessible surface: 572.224	Positive charged surface: 274.31	Negative charged surface: 297.914	Volume: 317.75
Hydrophobic surface: 489.68	Hydrophilic surface: 82.544

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00563184
CHEMBLOCK-ZINC04622563