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MMsINC code: MMs00463567

Type: Neutral
Formula: C₁₉H₂₃N₃O₂

SMILES:

O=C1N(CC(=O)N2CCc3c([nH]c4c3cccc4)C12C)CCCC

InChI:

InChI=1/C19H23N3O2/c1-3-4-10-21-12-16(23)22-11-9-14-13-7-5-6-8-15(13)20-17(14)19(22,2)18(21)24/h5-8,20H,3-4,9-12H2,1-2H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.411 kcal/mol

Physical Properties
Molecular Weight: 325.412 g/mol	logS: -3.63854	SlogP: 2.72157	Reactive groups: 0

Topological Properties
Globularity: 0.0845594	Sterimol/B1: 3.76711	Sterimol/B2: 3.90986	Sterimol/B3: 3.96497
Sterimol/B4: 6.84251	Sterimol/L: 16.8686

Surface and Volume Properties
Accessible surface: 565.642	Positive charged surface: 387.636	Negative charged surface: 172.874	Volume: 319.875
Hydrophobic surface: 455.873	Hydrophilic surface: 109.769

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.