MMsINC Database Search


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MMsINC code: MMs02307501

Type: Neutral
Formula: C₁₂H₉ClO

SMILES:

Clc1ccccc1Oc1ccccc1

InChI:

InChI=1/C12H9ClO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.99 kcal/mol

Physical Properties
Molecular Weight: 204.656 g/mol	logS: -3.90188	SlogP: 4.1323	Reactive groups: 0

Topological Properties
Globularity: 0.107319	Sterimol/B1: 3.09512	Sterimol/B2: 3.40172	Sterimol/B3: 3.41104
Sterimol/B4: 5.22356	Sterimol/L: 12.0906

Surface and Volume Properties
Accessible surface: 400.565	Positive charged surface: 188.915	Negative charged surface: 211.649	Volume: 193.875
Hydrophobic surface: 400.565	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.