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MMsINC code: MMs02397937

Type: Neutral
Formula: C₂₂H₃₀Cl₂N₂

SMILES:

Clc1ccc(cc1)CNCCCCCCCCNCc1ccc(Cl)cc1

InChI:

InChI=1/C22H30Cl2N2/c23-21-11-7-19(8-12-21)17-25-15-5-3-1-2-4-6-16-26-18-20-9-13-22(24)14-10-20/h7-14,25-26H,1-6,15-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.9356 kcal/mol

Physical Properties
Molecular Weight: 393.402 g/mol	logS: -5.96632	SlogP: 6.7462	Reactive groups: 0

Topological Properties
Globularity: 0.0215987	Sterimol/B1: 2.506	Sterimol/B2: 3.66341	Sterimol/B3: 4.01966
Sterimol/B4: 4.82374	Sterimol/L: 27.8873

Surface and Volume Properties
Accessible surface: 781.525	Positive charged surface: 480.2	Negative charged surface: 301.325	Volume: 402
Hydrophobic surface: 739.728	Hydrophilic surface: 41.797

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs02397938
NCID-ZINC04722959