MMsINC Database Search


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MMsINC code: MMs03147851

Type: Neutral
Formula: C₁₄H₁₁Cl₄N

SMILES:

Clc1cc(Cl)ccc1C(CN)c1ccc(Cl)cc1Cl

InChI:

InChI=1/C14H11Cl4N/c15-8-1-3-10(13(17)5-8)12(7-19)11-4-2-9(16)6-14(11)18/h1-6,12H,7,19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.7727 kcal/mol

Physical Properties
Molecular Weight: 335.061 g/mol	logS: -5.69089	SlogP: 5.3908	Reactive groups: 0

Topological Properties
Globularity: 0.313112	Sterimol/B1: 2.42355	Sterimol/B2: 3.88956	Sterimol/B3: 5.89171
Sterimol/B4: 6.03475	Sterimol/L: 13.8553

Surface and Volume Properties
Accessible surface: 498.786	Positive charged surface: 177.592	Negative charged surface: 321.194	Volume: 275.25
Hydrophobic surface: 443.527	Hydrophilic surface: 55.259

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.