MMsINC Database Search


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MMsINC code: MMs03541589

Type: Neutral
Formula: C₁₂H₉ClO

SMILES:

Clc1ccc(cc1)-c1ccccc1O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.0837 kcal/mol

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

Topological Properties
Globularity: 0.0728185	Sterimol/B1: 2.35926	Sterimol/B2: 2.38261	Sterimol/B3: 3.3492
Sterimol/B4: 5.22279	Sterimol/L: 13.3686

Surface and Volume Properties
Accessible surface: 401.662	Positive charged surface: 185.234	Negative charged surface: 212.277	Volume: 192.375
Hydrophobic surface: 361.359	Hydrophilic surface: 40.303

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.