MMsINC Database Search


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

MMsINC code: MMs00711243

Type: Neutral
Formula: C₁₈H₃₀N₂

SMILES:

N(CCCC)(C)C1CCN(CC1)CCc1ccccc1

InChI:

InChI=1/C18H30N2/c1-3-4-13-19(2)18-11-15-20(16-12-18)14-10-17-8-6-5-7-9-17/h5-9,18H,3-4,10-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.943 kcal/mol

Physical Properties
Molecular Weight: 274.452 g/mol	logS: -2.81227	SlogP: 3.42537	Reactive groups: 0

Topological Properties
Globularity: 0.0390514	Sterimol/B1: 2.37826	Sterimol/B2: 2.86381	Sterimol/B3: 3.8327
Sterimol/B4: 6.0016	Sterimol/L: 19.3415

Surface and Volume Properties
Accessible surface: 582.415	Positive charged surface: 450.428	Negative charged surface: 131.987	Volume: 314
Hydrophobic surface: 556.727	Hydrophilic surface: 25.688

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00711244
CHEMBRIDGE-ZINC02494470