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MMsINC code: MMs01112885

Type: Neutral
Formula: C₁₈H₂₀Cl₂N₂O

SMILES:

Clc1cccc(Cl)c1Nc1ccccc1CC(=O)N(CC)CC

InChI:

InChI=1/C18H20Cl2N2O/c1-3-22(4-2)17(23)12-13-8-5-6-11-16(13)21-18-14(19)9-7-10-15(18)20/h5-11,21H,3-4,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.777 kcal/mol

Physical Properties
Molecular Weight: 351.277 g/mol	logS: -5.22981	SlogP: 5.14787	Reactive groups: 0

Topological Properties
Globularity: 0.311229	Sterimol/B1: 2.38952	Sterimol/B2: 5.5888	Sterimol/B3: 6.3816
Sterimol/B4: 6.71188	Sterimol/L: 11.8475

Surface and Volume Properties
Accessible surface: 541.468	Positive charged surface: 312.64	Negative charged surface: 228.829	Volume: 328.75
Hydrophobic surface: 471.454	Hydrophilic surface: 70.014

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.