MMsINC Database Search


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

MMsINC code: MMs03031360

Type: Neutral
Formula: C₁₃H₂₇N

SMILES:

N(C(CC1CCCCC1)(C)C)CCC

InChI:

InChI=1/C13H27N/c1-4-10-14-13(2,3)11-12-8-6-5-7-9-12/h12,14H,4-11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.1325 kcal/mol

Physical Properties
Molecular Weight: 197.366 g/mol	logS: -3.54392	SlogP: 3.735	Reactive groups: 0

Topological Properties
Globularity: 0.119865	Sterimol/B1: 2.72237	Sterimol/B2: 3.28518	Sterimol/B3: 3.33074
Sterimol/B4: 6.63337	Sterimol/L: 13.2042

Surface and Volume Properties
Accessible surface: 450.679	Positive charged surface: 355.862	Negative charged surface: 94.8171	Volume: 238.25
Hydrophobic surface: 390.996	Hydrophilic surface: 59.683

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs03031361
PUBCHEM-ZINC03641520