MMsINC Database Search


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MMsINC code: MMs03147689

Type: Neutral
Formula: C₁₂H₇Cl₃O

SMILES:

Clc1cc(cc(Cl)c1O)-c1ccc(Cl)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.3092 kcal/mol

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

Topological Properties
Globularity: 0.00327828	Sterimol/B1: 2.14563	Sterimol/B2: 2.20758	Sterimol/B3: 3.54333
Sterimol/B4: 5.95516	Sterimol/L: 13.94

Surface and Volume Properties
Accessible surface: 442.602	Positive charged surface: 125.032	Negative charged surface: 306.498	Volume: 221.25
Hydrophobic surface: 402.2	Hydrophilic surface: 40.402

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.