MMsINC Database Search


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MMsINC code: MMs00832331

Type: Neutral
Formula: C₁₃H₉Cl₃O

SMILES:

Clc1ccccc1COc1cc(Cl)ccc1Cl

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.2122 kcal/mol

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

Topological Properties
Globularity: 0.00551624	Sterimol/B1: 2.37184	Sterimol/B2: 2.37825	Sterimol/B3: 3.63338
Sterimol/B4: 6.39936	Sterimol/L: 14.1068

Surface and Volume Properties
Accessible surface: 479.151	Positive charged surface: 163.241	Negative charged surface: 315.91	Volume: 242.625
Hydrophobic surface: 475.072	Hydrophilic surface: 4.079

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.