MMsINC Database Search


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MMsINC code: MMs03538937

Type: Neutral
Formula: C₁₄H₁₀Cl₄O

SMILES:

Clc1ccc(cc1)C(O)(C(Cl)Cl)c1ccc(Cl)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.671 kcal/mol

Physical Properties
Molecular Weight: 336.045 g/mol	logS: -5.80367	SlogP: 5.7644	Reactive groups: 0

Topological Properties
Globularity: 0.204819	Sterimol/B1: 2.8895	Sterimol/B2: 4.69913	Sterimol/B3: 4.93492
Sterimol/B4: 5.13779	Sterimol/L: 13.8584

Surface and Volume Properties
Accessible surface: 489.669	Positive charged surface: 154.815	Negative charged surface: 334.854	Volume: 269.625
Hydrophobic surface: 363.697	Hydrophilic surface: 125.972

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.