MMsINC Database Search


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MMsINC code: MMs00023948

Type: Neutral
Formula: C₁₄H₁₀Cl₄O

SMILES:

Clc1cc(Cl)ccc1COCc1ccc(Cl)cc1Cl

InChI:

InChI=1/C14H10Cl4O/c15-11-3-1-9(13(17)5-11)7-19-8-10-2-4-12(16)6-14(10)18/h1-6H,7-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.8295 kcal/mol

Physical Properties
Molecular Weight: 336.045 g/mol	logS: -6.20614	SlogP: 6.5498	Reactive groups: 0

Topological Properties
Globularity: 0.00886241	Sterimol/B1: 2.37438	Sterimol/B2: 2.37714	Sterimol/B3: 2.57435
Sterimol/B4: 6.50748	Sterimol/L: 16.0142

Surface and Volume Properties
Accessible surface: 528.526	Positive charged surface: 161.756	Negative charged surface: 366.77	Volume: 276
Hydrophobic surface: 518.033	Hydrophilic surface: 10.493

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.