MMsINC Database Search


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

MMsINC code: MMs00009949

Type: Neutral
Formula: C₁₁H₁₇N

SMILES:

N(CC)(CC)c1cc(ccc1)C

InChI:

InChI=1/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.4642 kcal/mol

Physical Properties
Molecular Weight: 163.264 g/mol	logS: -2.44063	SlogP: 2.84122	Reactive groups: 0

Topological Properties
Globularity: 0.117441	Sterimol/B1: 2.23866	Sterimol/B2: 3.15608	Sterimol/B3: 3.88348
Sterimol/B4: 6.4232	Sterimol/L: 11.1023

Surface and Volume Properties
Accessible surface: 392.084	Positive charged surface: 267.282	Negative charged surface: 124.802	Volume: 192.125
Hydrophobic surface: 332.988	Hydrophilic surface: 59.096

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.