MMsINC Database Search


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MMsINC code: MMs02865577

Type: Neutral
Formula: C₁₂H₉ClO₂

SMILES:

Clc1ccccc1-c1cccc(O)c1O

InChI:

InChI=1/C12H9ClO2/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,14-15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.9601 kcal/mol

Physical Properties
Molecular Weight: 220.655 g/mol	logS: -3.82165	SlogP: 3.4182	Reactive groups: 0

Topological Properties
Globularity: 0.112974	Sterimol/B1: 2.31075	Sterimol/B2: 3.1632	Sterimol/B3: 4.7033
Sterimol/B4: 4.71077	Sterimol/L: 12.1135

Surface and Volume Properties
Accessible surface: 405.462	Positive charged surface: 208.828	Negative charged surface: 195.25	Volume: 199.75
Hydrophobic surface: 322.221	Hydrophilic surface: 83.241

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.