MMsINC Database Search


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

MMsINC code: MMs00842546

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

O=C1N(C(C)C)C(CC1)C(=O)NCc1ccccc1

InChI:

InChI=1/C15H20N2O2/c1-11(2)17-13(8-9-14(17)18)15(19)16-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,19)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.564 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -2.48454	SlogP: 1.9686	Reactive groups: 0

Topological Properties
Globularity: 0.08003	Sterimol/B1: 2.49503	Sterimol/B2: 3.05275	Sterimol/B3: 4.50357
Sterimol/B4: 5.72348	Sterimol/L: 15.2145

Surface and Volume Properties
Accessible surface: 514.607	Positive charged surface: 331.214	Negative charged surface: 183.393	Volume: 268.125
Hydrophobic surface: 412.94	Hydrophilic surface: 101.667

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.