MMsINC Database Search


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

MMsINC code: MMs01241467

Type: Neutral
Formula: C₁₈H₂₀N₂O₂

SMILES:

O1CCN(CC1)C(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C18H20N2O2/c21-18(20-11-13-22-14-12-20)19-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.3469 kcal/mol

Physical Properties
Molecular Weight: 296.37 g/mol	logS: -3.32562	SlogP: 2.9133	Reactive groups: 0

Topological Properties
Globularity: 0.179626	Sterimol/B1: 2.32802	Sterimol/B2: 3.99616	Sterimol/B3: 4.099
Sterimol/B4: 9.27238	Sterimol/L: 13.0583

Surface and Volume Properties
Accessible surface: 551.334	Positive charged surface: 359.901	Negative charged surface: 191.433	Volume: 296.125
Hydrophobic surface: 511.445	Hydrophilic surface: 39.889

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.