MMsINC Database Search


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MMsINC code: MMs03539297

Type: Neutral
Formula: C₁₂H₇Cl₃O₂

SMILES:

Clc1cc(Cl)cc(Cl)c1Oc1ccc(O)cc1

InChI:

InChI=1/C12H7Cl3O2/c13-7-5-10(14)12(11(15)6-7)17-9-3-1-8(16)2-4-9/h1-6,16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.5777 kcal/mol

Physical Properties
Molecular Weight: 289.545 g/mol	logS: -5.00851	SlogP: 5.1447	Reactive groups: 0

Topological Properties
Globularity: 0.144129	Sterimol/B1: 3.26889	Sterimol/B2: 4.34593	Sterimol/B3: 4.36993
Sterimol/B4: 4.74267	Sterimol/L: 13.551

Surface and Volume Properties
Accessible surface: 456.821	Positive charged surface: 159.066	Negative charged surface: 297.755	Volume: 229.75
Hydrophobic surface: 405.101	Hydrophilic surface: 51.72

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.