MMsINC Database Search


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

MMsINC code: MMs00848989

Type: Neutral
Formula: C₁₈H₂₆N₂O₂

SMILES:

O1CCN(CC1)C(C(=O)NC1CCCCC1)c1ccccc1

InChI:

InChI=1/C18H26N2O2/c21-18(19-16-9-5-2-6-10-16)17(15-7-3-1-4-8-15)20-11-13-22-14-12-20/h1,3-4,7-8,16-17H,2,5-6,9-14H2,(H,19,21)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.356 kcal/mol

Physical Properties
Molecular Weight: 302.418 g/mol	logS: -3.19152	SlogP: 2.6043	Reactive groups: 0

Topological Properties
Globularity: 0.0908594	Sterimol/B1: 2.45138	Sterimol/B2: 3.43082	Sterimol/B3: 4.07551
Sterimol/B4: 9.75098	Sterimol/L: 14.752

Surface and Volume Properties
Accessible surface: 568.752	Positive charged surface: 432.415	Negative charged surface: 136.337	Volume: 313.875
Hydrophobic surface: 531.029	Hydrophilic surface: 37.723

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.