MMsINC Database Search


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

MMsINC code: MMs03212066

Type: Neutral
Formula: C₁₄H₂₃N

SMILES:

N(CC)(CC)c1c(cccc1CC)CC

InChI:

InChI=1/C14H23N/c1-5-12-10-9-11-13(6-2)14(12)15(7-3)8-4/h9-11H,5-8H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=374.205 kcal/mol

Physical Properties
Molecular Weight: 205.345 g/mol	logS: -3.31809	SlogP: 3.65754	Reactive groups: 0

Topological Properties
Globularity: 0.299886	Sterimol/B1: 2.53003	Sterimol/B2: 2.65832	Sterimol/B3: 5.38954
Sterimol/B4: 6.79961	Sterimol/L: 10.0684

Surface and Volume Properties
Accessible surface: 421.459	Positive charged surface: 288.938	Negative charged surface: 132.521	Volume: 233
Hydrophobic surface: 341.769	Hydrophilic surface: 79.69

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.