MMsINC Database Search


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MMsINC code: MMs02218423

Type: Neutral
Formula: C₁₈H₁₄Cl₄N₂O₂

SMILES:

Clc1ccc(Cl)cc1C(=O)N1CCN(CC1)C(=O)c1cc(Cl)ccc1Cl

InChI:

InChI=1/C18H14Cl4N2O2/c19-11-1-3-15(21)13(9-11)17(25)23-5-7-24(8-6-23)18(26)14-10-12(20)2-4-16(14)22/h1-4,9-10H,5-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.47 kcal/mol

Physical Properties
Molecular Weight: 432.134 g/mol	logS: -6.3455	SlogP: 4.8984	Reactive groups: 0

Topological Properties
Globularity: 0.119091	Sterimol/B1: 3.14663	Sterimol/B2: 4.24039	Sterimol/B3: 4.29248
Sterimol/B4: 7.26056	Sterimol/L: 14.1688

Surface and Volume Properties
Accessible surface: 613.886	Positive charged surface: 236.79	Negative charged surface: 377.096	Volume: 350
Hydrophobic surface: 562.492	Hydrophilic surface: 51.394

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.