MMsINC Database Search


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MMsINC code: MMs03537719

Type: Neutral
Formula: C₁₂H₇Cl₃O

SMILES:

Clc1ccc(Cl)cc1-c1cccc(Cl)c1O

InChI:

InChI=1/C12H7Cl3O/c13-7-4-5-10(14)9(6-7)8-2-1-3-11(15)12(8)16/h1-6,16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.1687 kcal/mol

Physical Properties
Molecular Weight: 273.546 g/mol	logS: -5.65218	SlogP: 5.0194	Reactive groups: 0

Topological Properties
Globularity: 0.128525	Sterimol/B1: 2.69614	Sterimol/B2: 3.25694	Sterimol/B3: 4.2934
Sterimol/B4: 5.52304	Sterimol/L: 12.1443

Surface and Volume Properties
Accessible surface: 441.483	Positive charged surface: 151.222	Negative charged surface: 289.131	Volume: 220.625
Hydrophobic surface: 408.628	Hydrophilic surface: 32.855

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.