MMsINC Database Search


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MMsINC code: MMs02840989

Type: Neutral
Formula: C₁₂H₉ClO

SMILES:

Clc1cccc(O)c1-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3785 kcal/mol

Physical Properties
Molecular Weight: 204.656 g/mol	logS: -4.1836	SlogP: 3.7126	Reactive groups: 0

Topological Properties
Globularity: 0.0964861	Sterimol/B1: 2.86399	Sterimol/B2: 3.22212	Sterimol/B3: 4.08491
Sterimol/B4: 4.55836	Sterimol/L: 12.1526

Surface and Volume Properties
Accessible surface: 392.469	Positive charged surface: 190.055	Negative charged surface: 200.791	Volume: 193
Hydrophobic surface: 353.463	Hydrophilic surface: 39.006

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.