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


PUBCHEM-ZINC03733978

 MMsINC code: MMs03062711
Type: Neutral
Formula: C15H29N
SMILES:   N1CCC(C)C1C1CCC(CC1)C(C)(C)C
InChI:   InChI=1/C15H29N/c1-11-9-10-16-14(11)12-5-7-13(8-6-12)15(2,3)4/h11-14,16H,5-10H2,1-4H3/t11-,12-,13+,14+/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)=98.2116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.404 g/mol  logS: -4.34688  SlogP: 3.8369  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180223  Sterimol/B1: 2.23734  Sterimol/B2: 3.4315  Sterimol/B3: 4.31391
  Sterimol/B4: 5.8618  Sterimol/L: 12.2985 
 
 Surface and Volume Properties
  Accessible surface: 450.712  Positive charged surface: 349.91  Negative charged surface: 100.802  Volume: 259.5
  Hydrophobic surface: 369.458  Hydrophilic surface: 81.254
 
 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


MMs03062712
PUBCHEM-ZINC03733978