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MMsINC code: MMs02151983

Type: Neutral
Formula: C₁₈H₂₂Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1C(=O)N1CCN(CC1)C(=O)C1CCCCC1

InChI:

InChI=1/C18H22Cl2N2O2/c19-14-7-4-8-15(20)16(14)18(24)22-11-9-21(10-12-22)17(23)13-5-2-1-3-6-13/h4,7-8,13H,1-3,5-6,9-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.1266 kcal/mol

Physical Properties
Molecular Weight: 369.292 g/mol	logS: -4.96354	SlogP: 3.8581	Reactive groups: 0

Topological Properties
Globularity: 0.083259	Sterimol/B1: 2.97689	Sterimol/B2: 3.47213	Sterimol/B3: 4.70525
Sterimol/B4: 5.32267	Sterimol/L: 17.189

Surface and Volume Properties
Accessible surface: 578.103	Positive charged surface: 340.059	Negative charged surface: 238.044	Volume: 335.25
Hydrophobic surface: 528.675	Hydrophilic surface: 49.428

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.