MMsINC Database Search


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MMsINC code: MMs02332633

Type: Neutral
Formula: C₁₀H₇ClO

SMILES:

Clc1cc2cc(O)ccc2cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.133 kcal/mol

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

Topological Properties
Globularity: 0.00600051	Sterimol/B1: 2.18696	Sterimol/B2: 2.1962	Sterimol/B3: 2.56238
Sterimol/B4: 5.55145	Sterimol/L: 11.2591

Surface and Volume Properties
Accessible surface: 353.056	Positive charged surface: 150.14	Negative charged surface: 191.845	Volume: 161.875
Hydrophobic surface: 300.947	Hydrophilic surface: 52.109

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.