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


NCID-ZINC04416147

 MMsINC code: MMs02386029
Type: Neutral
Formula: C7H15N
SMILES:   N1CCC(CC1C)C
InChI:   InChI=1/C7H15N/c1-6-3-4-8-7(2)5-6/h6-8H,3-5H2,1-2H3/t6-,7-/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)=0.208661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 113.204 g/mol  logS: -0.95406  SlogP: 1.3944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158064  Sterimol/B1: 2.46303  Sterimol/B2: 2.82898  Sterimol/B3: 2.98136
  Sterimol/B4: 5.40311  Sterimol/L: 9.74023 
 
 Surface and Volume Properties
  Accessible surface: 313.662  Positive charged surface: 256.665  Negative charged surface: 56.9968  Volume: 137.125
  Hydrophobic surface: 247.485  Hydrophilic surface: 66.177
 
 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


MMs02386030
NCID-ZINC04416147