MMsINC Database Search


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MMsINC code: MMs01335189

Type: Neutral
Formula: C₁₄H₈Cl₄O₂

SMILES:

Clc1c(C(OCc2ccc(Cl)cc2)=O)c(Cl)ccc1Cl

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.2749 kcal/mol

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

Topological Properties
Globularity: 0.0986245	Sterimol/B1: 3.63963	Sterimol/B2: 4.09641	Sterimol/B3: 4.20643
Sterimol/B4: 5.90165	Sterimol/L: 15.3147

Surface and Volume Properties
Accessible surface: 532.678	Positive charged surface: 163.627	Negative charged surface: 369.052	Volume: 275.125
Hydrophobic surface: 497.598	Hydrophilic surface: 35.08

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.