MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01191176

Type: Neutral
Formula: C₁₉H₂₀N₄O₃

SMILES:

O=C1N(CCC)C(=O)N(c2c1cccc2)CC(=O)NCc1ncccc1

InChI:

InChI=1/C19H20N4O3/c1-2-11-22-18(25)15-8-3-4-9-16(15)23(19(22)26)13-17(24)21-12-14-7-5-6-10-20-14/h3-10H,2,11-13H2,1H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.3542 kcal/mol

Physical Properties
Molecular Weight: 352.394 g/mol	logS: -3.09015	SlogP: 2.4566	Reactive groups: 0

Topological Properties
Globularity: 0.0355656	Sterimol/B1: 2.31418	Sterimol/B2: 2.88702	Sterimol/B3: 3.47534
Sterimol/B4: 10.0319	Sterimol/L: 17.6254

Surface and Volume Properties
Accessible surface: 619.198	Positive charged surface: 402.658	Negative charged surface: 216.54	Volume: 332.25
Hydrophobic surface: 481.394	Hydrophilic surface: 137.804

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.