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MMsINC code: MMs01202749

Type: Neutral
Formula: C₁₉H₂₃N₃O₂

SMILES:

O1CCN(CC1)c1ncc(cc1)C(=O)N(Cc1ccccc1C)C

InChI:

InChI=1/C19H23N3O2/c1-15-5-3-4-6-17(15)14-21(2)19(23)16-7-8-18(20-13-16)22-9-11-24-12-10-22/h3-8,13H,9-12,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=173.872 kcal/mol

Physical Properties
Molecular Weight: 325.412 g/mol	logS: -2.93885	SlogP: 2.76522	Reactive groups: 0

Topological Properties
Globularity: 0.0574386	Sterimol/B1: 2.71042	Sterimol/B2: 3.40902	Sterimol/B3: 3.98611
Sterimol/B4: 5.7314	Sterimol/L: 17.2372

Surface and Volume Properties
Accessible surface: 582.977	Positive charged surface: 424.843	Negative charged surface: 158.134	Volume: 324.25
Hydrophobic surface: 514.43	Hydrophilic surface: 68.547

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: no related molecules available.