MMsINC Database Search


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MMsINC code: MMs02893695

Type: Neutral
Formula: C₁₂H₇Cl₃O

SMILES:

Clc1cc(Cl)cc(Cl)c1-c1ccc(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.701 kcal/mol

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

Topological Properties
Globularity: 0.0818412	Sterimol/B1: 2.40348	Sterimol/B2: 3.59202	Sterimol/B3: 4.03037
Sterimol/B4: 5.38458	Sterimol/L: 13.9382

Surface and Volume Properties
Accessible surface: 436.207	Positive charged surface: 159.343	Negative charged surface: 276.022	Volume: 223.25
Hydrophobic surface: 384.274	Hydrophilic surface: 51.933

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.