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MMsINC code: MMs00734001

Type: Neutral
Formula: C₁₉H₂₂Cl₂N₂O

SMILES:

Clc1c(OCCN2CCN(CC2)Cc2ccccc2)cccc1Cl

InChI:

InChI=1/C19H22Cl2N2O/c20-17-7-4-8-18(19(17)21)24-14-13-22-9-11-23(12-10-22)15-16-5-2-1-3-6-16/h1-8H,9-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.955 kcal/mol

Physical Properties
Molecular Weight: 365.304 g/mol	logS: -4.61636	SlogP: 4.4564	Reactive groups: 0

Topological Properties
Globularity: 0.0726868	Sterimol/B1: 3.50495	Sterimol/B2: 4.42591	Sterimol/B3: 4.52165
Sterimol/B4: 5.02368	Sterimol/L: 18.5704

Surface and Volume Properties
Accessible surface: 634.762	Positive charged surface: 379.661	Negative charged surface: 255.101	Volume: 345.875
Hydrophobic surface: 626.471	Hydrophilic surface: 8.2909999999999

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs00734002
CHEMBRIDGE-ZINC02881281