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MMsINC code: MMs01274634

Type: Neutral
Formula: C₁₉H₂₃N₃O₃

SMILES:

o1cccc1C(=O)NCCC(=O)Nc1ccc(N2CCCCC2)cc1

InChI:

InChI=1/C19H23N3O3/c23-18(10-11-20-19(24)17-5-4-14-25-17)21-15-6-8-16(9-7-15)22-12-2-1-3-13-22/h4-9,14H,1-3,10-13H2,(H,20,24)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.144 kcal/mol

Physical Properties
Molecular Weight: 341.411 g/mol	logS: -3.84249	SlogP: 3.0285	Reactive groups: 0

Topological Properties
Globularity: 0.0161102	Sterimol/B1: 3.22704	Sterimol/B2: 3.33178	Sterimol/B3: 3.34085
Sterimol/B4: 4.60125	Sterimol/L: 22.514

Surface and Volume Properties
Accessible surface: 632.782	Positive charged surface: 422.312	Negative charged surface: 210.47	Volume: 332.5
Hydrophobic surface: 519.528	Hydrophilic surface: 113.254

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.