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MMsINC code: MMs00939372

Type: Neutral
Formula: C₁₄H₁₂ClNO₂

SMILES:

Clc1ccc(cc1)CNc1ccccc1C(O)=O

InChI:

InChI=1/C14H12ClNO2/c15-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)14(17)18/h1-8,16H,9H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.4471 kcal/mol

Physical Properties
Molecular Weight: 261.708 g/mol	logS: -3.65293	SlogP: 3.9167	Reactive groups: 0

Topological Properties
Globularity: 0.080853	Sterimol/B1: 3.55295	Sterimol/B2: 3.64211	Sterimol/B3: 3.64655
Sterimol/B4: 6.17793	Sterimol/L: 15.2516

Surface and Volume Properties
Accessible surface: 482.964	Positive charged surface: 241.142	Negative charged surface: 241.822	Volume: 238.25
Hydrophobic surface: 388.14	Hydrophilic surface: 94.824

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00939373
CHEMDIV-ZINC04638823