MMsINC Database Search


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MMsINC code: MMs02307472

Type: Neutral
Formula: C₁₄H₆Cl₄O₄

SMILES:

Clc1cc(Cl)ccc1OC(=O)C(Oc1ccc(Cl)cc1Cl)=O

InChI:

InChI=1/C14H6Cl4O4/c15-7-1-3-11(9(17)5-7)21-13(19)14(20)22-12-4-2-8(16)6-10(12)18/h1-6H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3255 kcal/mol

Physical Properties
Molecular Weight: 380.01 g/mol	logS: -6.8087	SlogP: 4.8112	Reactive groups: 0

Topological Properties
Globularity: 0.0160642	Sterimol/B1: 2.57935	Sterimol/B2: 2.95705	Sterimol/B3: 3.13775
Sterimol/B4: 5.72289	Sterimol/L: 18.6476

Surface and Volume Properties
Accessible surface: 554.683	Positive charged surface: 153.778	Negative charged surface: 400.905	Volume: 285.125
Hydrophobic surface: 482.139	Hydrophilic surface: 72.544

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.