MMsINC Database Search


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MMsINC code: MMs02344319

Type: Neutral
Formula: C₁₃H₉Cl₃O

SMILES:

Clc1cc(Cl)cc(Cl)c1COc1ccccc1

InChI:

InChI=1/C13H9Cl3O/c14-9-6-12(15)11(13(16)7-9)8-17-10-4-2-1-3-5-10/h1-7H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.1306 kcal/mol

Physical Properties
Molecular Weight: 287.573 g/mol	logS: -5.40603	SlogP: 5.4922	Reactive groups: 0

Topological Properties
Globularity: 0.101818	Sterimol/B1: 3.58606	Sterimol/B2: 3.90172	Sterimol/B3: 4.73171
Sterimol/B4: 4.75684	Sterimol/L: 15.3201

Surface and Volume Properties
Accessible surface: 483.249	Positive charged surface: 166.237	Negative charged surface: 317.012	Volume: 241.75
Hydrophobic surface: 474.865	Hydrophilic surface: 8.384

Pharmacophoric Properties
Hydrogen bond donors: 0	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.