MMsINC Database Search


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MMsINC code: MMs03672571

Type: Neutral
Formula: C₁₄H₈Cl₄O₂

SMILES:

Clc1cc(Cl)ccc1C(OCc1cc(Cl)c(Cl)cc1)=O

InChI:

InChI=1/C14H8Cl4O2/c15-9-2-3-10(12(17)6-9)14(19)20-7-8-1-4-11(16)13(18)5-8/h1-6H,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.6415 kcal/mol

Physical Properties
Molecular Weight: 350.028 g/mol	logS: -6.47167	SlogP: 5.9236	Reactive groups: 0

Topological Properties
Globularity: 0.0770217	Sterimol/B1: 2.47208	Sterimol/B2: 4.43519	Sterimol/B3: 4.66768
Sterimol/B4: 5.88128	Sterimol/L: 16.4253

Surface and Volume Properties
Accessible surface: 536.616	Positive charged surface: 174.559	Negative charged surface: 362.057	Volume: 275.375
Hydrophobic surface: 504.091	Hydrophilic surface: 32.525

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.