MMsINC Database Search


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

MMsINC code: MMs00756481

Type: Neutral
Formula: C₁₉H₂₆N₂O₂

SMILES:

O(CCNc1ccccc1)C(=O)NC12CC3CC(C1)CC(C2)C3

InChI:

InChI=1/C19H26N2O2/c22-18(23-7-6-20-17-4-2-1-3-5-17)21-19-11-14-8-15(12-19)10-16(9-14)13-19/h1-5,14-16,20H,6-13H2,(H,21,22)/t14-,15+,16-,19-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.1366 kcal/mol

Physical Properties
Molecular Weight: 314.429 g/mol	logS: -4.25721	SlogP: 3.7935	Reactive groups: 0

Topological Properties
Globularity: 0.0553911	Sterimol/B1: 3.38436	Sterimol/B2: 3.39653	Sterimol/B3: 4.32125
Sterimol/B4: 5.02716	Sterimol/L: 18.1006

Surface and Volume Properties
Accessible surface: 578.032	Positive charged surface: 429.425	Negative charged surface: 148.608	Volume: 316
Hydrophobic surface: 518.645	Hydrophilic surface: 59.387

Pharmacophoric Properties
Hydrogen bond donors: 2	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.