MMsINC Database Search


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MMsINC code: MMs02841366

Type: Neutral
Formula: C₁₀H₇ClO

SMILES:

Clc1cc2c(cc1O)cccc2

InChI:

InChI=1/C10H7ClO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.4659 kcal/mol

Physical Properties
Molecular Weight: 178.618 g/mol	logS: -3.6351	SlogP: 3.1988	Reactive groups: 0

Topological Properties
Globularity: 0.00602823	Sterimol/B1: 2.13418	Sterimol/B2: 2.2468	Sterimol/B3: 3.16097
Sterimol/B4: 4.95564	Sterimol/L: 10.7047

Surface and Volume Properties
Accessible surface: 355.07	Positive charged surface: 153.549	Negative charged surface: 190.45	Volume: 162
Hydrophobic surface: 308.764	Hydrophilic surface: 46.306

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: no related molecules available.