MMsINC Database Search


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MMsINC code: MMs01376016

Type: Neutral
Formula: C₁₄H₈Cl₄O₂

SMILES:

Clc1cccc(Cl)c1C(OCc1cc(Cl)c(Cl)cc1)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.582 kcal/mol

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

Topological Properties
Globularity: 0.098904	Sterimol/B1: 3.03134	Sterimol/B2: 4.65937	Sterimol/B3: 4.8549
Sterimol/B4: 5.22621	Sterimol/L: 15.3181

Surface and Volume Properties
Accessible surface: 527.475	Positive charged surface: 163.002	Negative charged surface: 364.473	Volume: 275.625
Hydrophobic surface: 495.152	Hydrophilic surface: 32.323

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.