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MMsINC code: MMs00767166

Type: Neutral
Formula: C₂₀H₂₅N₃O₂

SMILES:

OCCN1CCN(CC1)C(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H25N3O2/c24-16-15-22-11-13-23(14-12-22)20(25)21-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,24H,11-16H2,(H,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2913 kcal/mol

Physical Properties
Molecular Weight: 339.439 g/mol	logS: -2.87833	SlogP: 2.191	Reactive groups: 0

Topological Properties
Globularity: 0.0988696	Sterimol/B1: 2.36274	Sterimol/B2: 4.00343	Sterimol/B3: 4.0315
Sterimol/B4: 9.29004	Sterimol/L: 15.6111

Surface and Volume Properties
Accessible surface: 625.809	Positive charged surface: 428.892	Negative charged surface: 196.917	Volume: 343.625
Hydrophobic surface: 548.136	Hydrophilic surface: 77.673

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00767167
CHEMBRIDGE-ZINC04272469