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MMsINC code: MMs02298478

Type: Neutral
Formula: C₁₃H₁₀ClNO₂

SMILES:

Clc1cccc(Nc2ccccc2)c1C(O)=O

InChI:

InChI=1/C13H10ClNO2/c14-10-7-4-8-11(12(10)13(16)17)15-9-5-2-1-3-6-9/h1-8,15H,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.7036 kcal/mol

Physical Properties
Molecular Weight: 247.681 g/mol	logS: -3.70889	SlogP: 3.7818	Reactive groups: 0

Topological Properties
Globularity: 0.059317	Sterimol/B1: 2.75066	Sterimol/B2: 3.33117	Sterimol/B3: 4.54142
Sterimol/B4: 5.04755	Sterimol/L: 13.5802

Surface and Volume Properties
Accessible surface: 438.007	Positive charged surface: 201.022	Negative charged surface: 236.985	Volume: 220.5
Hydrophobic surface: 344.393	Hydrophilic surface: 93.614

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

MMs02298479
NCID-ZINC01661343