MMsINC Database Search


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MMsINC code: MMs03370083

Type: Neutral
Formula: C₁₈H₁₆Cl₂N₂O₂

SMILES:

Clc1cc(ccc1)C(=O)N1CCN(CC1)C(=O)c1cc(Cl)ccc1

InChI:

InChI=1/C18H16Cl2N2O2/c19-15-5-1-3-13(11-15)17(23)21-7-9-22(10-8-21)18(24)14-4-2-6-16(20)12-14/h1-6,11-12H,7-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.627 kcal/mol

Physical Properties
Molecular Weight: 363.244 g/mol	logS: -4.87692	SlogP: 3.5916	Reactive groups: 0

Topological Properties
Globularity: 0.0929217	Sterimol/B1: 2.31662	Sterimol/B2: 3.47176	Sterimol/B3: 4.9813
Sterimol/B4: 7.1246	Sterimol/L: 15.6742

Surface and Volume Properties
Accessible surface: 584.904	Positive charged surface: 280.449	Negative charged surface: 304.455	Volume: 317.625
Hydrophobic surface: 518.906	Hydrophilic surface: 65.998

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.