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


APOLLO-ZINC02584378

 MMsINC code: MMs00055629
Type: Tautomer
Formula: C10H19N
SMILES:   NC1CC2CCC1(C)C2(C)C
InChI:   InChI=1/C10H19N/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6,11H2,1-3H3/t7-,8-,10+/m1/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)=76.7655 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.269 g/mol  logS: -2.08498  SlogP: 2.1599  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.737716  Sterimol/B1: 2.48536  Sterimol/B2: 2.70581  Sterimol/B3: 5.27883
  Sterimol/B4: 5.62722  Sterimol/L: 8.58418 
 
 Surface and Volume Properties
  Accessible surface: 336.87  Positive charged surface: 249.416  Negative charged surface: 87.4543  Volume: 174.625
  Hydrophobic surface: 248.487  Hydrophilic surface: 88.383
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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:  
   
Parent related molecule:


MMs00055628
APOLLO-ZINC02584378