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


ACROSORGANICS-ZINC03861433

 MMsINC code: MMs00015918
Type: Neutral
Formula: C8H17N
SMILES:   NC1CCCC(C)C1C
InChI:   InChI=1/C8H17N/c1-6-4-3-5-8(9)7(6)2/h6-8H,3-5,9H2,1-2H3/t6-,7+,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)=12.3408 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 127.231 g/mol  logS: -1.47003  SlogP: 1.7698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.214112  Sterimol/B1: 2.57479  Sterimol/B2: 3.1285  Sterimol/B3: 4.28789
  Sterimol/B4: 4.49547  Sterimol/L: 9.04553 
 
 Surface and Volume Properties
  Accessible surface: 323.973  Positive charged surface: 256.053  Negative charged surface: 67.9205  Volume: 152.625
  Hydrophobic surface: 233.594  Hydrophilic surface: 90.379
 
 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:  
   

Ions/Tautomers related molecules


MMs00015919
ACROSORGANICS-ZINC03861433