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MMsINC code: MMs00318712

Type: Neutral
Formula: C₁₉H₂₃N₃O

SMILES:

O=C(NC1CCCCC1)c1ccc(nc1)Nc1ccccc1C

InChI:

InChI=1/C19H23N3O/c1-14-7-5-6-10-17(14)22-18-12-11-15(13-20-18)19(23)21-16-8-3-2-4-9-16/h5-7,10-13,16H,2-4,8-9H2,1H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.4425 kcal/mol

Physical Properties
Molecular Weight: 309.413 g/mol	logS: -3.83606	SlogP: 4.19612	Reactive groups: 0

Topological Properties
Globularity: 0.0339142	Sterimol/B1: 2.91202	Sterimol/B2: 4.01209	Sterimol/B3: 4.16213
Sterimol/B4: 5.99136	Sterimol/L: 17.9645

Surface and Volume Properties
Accessible surface: 589.076	Positive charged surface: 405.419	Negative charged surface: 183.657	Volume: 317.25
Hydrophobic surface: 535.397	Hydrophilic surface: 53.679

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.