MMsINC Database Search


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

MMsINC code: MMs00078289

Type: Neutral
Formula: C₁₉H₂₄N₂O₂

SMILES:

o1cccc1CN(Cc1ccccc1)C(=O)NC1CCCCC1

InChI:

InChI=1/C19H24N2O2/c22-19(20-17-10-5-2-6-11-17)21(15-18-12-7-13-23-18)14-16-8-3-1-4-9-16/h1,3-4,7-9,12-13,17H,2,5-6,10-11,14-15H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.5168 kcal/mol

Physical Properties
Molecular Weight: 312.413 g/mol	logS: -4.25685	SlogP: 4.8569	Reactive groups: 0

Topological Properties
Globularity: 0.0820833	Sterimol/B1: 2.64482	Sterimol/B2: 2.71149	Sterimol/B3: 4.1397
Sterimol/B4: 10.4004	Sterimol/L: 14.3174

Surface and Volume Properties
Accessible surface: 575.227	Positive charged surface: 363.683	Negative charged surface: 211.544	Volume: 322.625
Hydrophobic surface: 532.877	Hydrophilic surface: 42.35

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