logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC03733576

 MMsINC code: MMs03062381
Type: Neutral
Formula: C9H19N
SMILES:   N1CCC(C)C1C(C)(C)C
InChI:   InChI=1/C9H19N/c1-7-5-6-10-8(7)9(2,3)4/h7-8,10H,5-6H2,1-4H3/t7-,8-/m0/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=38.4311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 141.258 g/mol  logS: -1.04415  SlogP: 2.0305  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.298406  Sterimol/B1: 2.06894  Sterimol/B2: 3.21492  Sterimol/B3: 3.75397
  Sterimol/B4: 5.85274  Sterimol/L: 9.47535 
 
 Surface and Volume Properties
  Accessible surface: 343.196  Positive charged surface: 261.385  Negative charged surface: 81.8112  Volume: 171.25
  Hydrophobic surface: 263.138  Hydrophilic surface: 80.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03062382
PUBCHEM-ZINC03733576