MMsINC Database Search


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MMsINC code: MMs02173087

Type: Neutral
Formula: C₁₄H₈Cl₄O₂

SMILES:

Clc1cc(cc(Cl)c1OC(=O)c1ccc(Cl)cc1Cl)C

InChI:

InChI=1/C14H8Cl4O2/c1-7-4-11(17)13(12(18)5-7)20-14(19)9-3-2-8(15)6-10(9)16/h2-6H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.4447 kcal/mol

Physical Properties
Molecular Weight: 350.028 g/mol	logS: -6.91002	SlogP: 5.82782	Reactive groups: 0

Topological Properties
Globularity: 0.0761852	Sterimol/B1: 3.96227	Sterimol/B2: 4.71222	Sterimol/B3: 4.73918
Sterimol/B4: 4.76052	Sterimol/L: 16.3606

Surface and Volume Properties
Accessible surface: 523.754	Positive charged surface: 165.795	Negative charged surface: 357.958	Volume: 275.375
Hydrophobic surface: 512.333	Hydrophilic surface: 11.421

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.