MMsINC Database Search


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

MMsINC code: MMs01506093

Type: Neutral
Formula: C₁₈H₂₀N₂O₂

SMILES:

O=C(N(CC(=O)Nc1ccc(cc1)C)C)Cc1ccccc1

InChI:

InChI=1/C18H20N2O2/c1-14-8-10-16(11-9-14)19-17(21)13-20(2)18(22)12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.0498 kcal/mol

Physical Properties
Molecular Weight: 296.37 g/mol	logS: -3.95684	SlogP: 2.63459	Reactive groups: 0

Topological Properties
Globularity: 0.0542073	Sterimol/B1: 3.18567	Sterimol/B2: 3.19643	Sterimol/B3: 3.67128
Sterimol/B4: 7.1991	Sterimol/L: 17.0551

Surface and Volume Properties
Accessible surface: 584.162	Positive charged surface: 378.246	Negative charged surface: 205.916	Volume: 304.625
Hydrophobic surface: 519.977	Hydrophilic surface: 64.185

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.