MMsINC Database Search


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MMsINC code: MMs02886362

Type: Neutral
Formula: C₁₂H₄Cl₆O

SMILES:

Clc1c(cc(Cl)c(O)c1Cl)-c1cc(Cl)c(Cl)cc1Cl

InChI:

InChI=1/C12H4Cl6O/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)12(19)11(18)10(5)17/h1-3,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.8922 kcal/mol

Physical Properties
Molecular Weight: 376.881 g/mol	logS: -7.85505	SlogP: 6.9796	Reactive groups: 0

Topological Properties
Globularity: 0.0914558	Sterimol/B1: 2.88211	Sterimol/B2: 3.54176	Sterimol/B3: 4.25289
Sterimol/B4: 5.32727	Sterimol/L: 13.9349

Surface and Volume Properties
Accessible surface: 493.924	Positive charged surface: 105.636	Negative charged surface: 386.948	Volume: 265.25
Hydrophobic surface: 454.454	Hydrophilic surface: 39.47

Pharmacophoric Properties
Hydrogen bond donors: 1	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.