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


CHEMBLOCK-ZINC04761220

 MMsINC code: MMs00577666
Type: Tautomer
Formula: C17H24ClN
SMILES:   Clc1ccc(cc1)CN1CC2(CC(CC1C2)(C)C)C
InChI:   InChI=1/C17H24ClN/c1-16(2)8-15-9-17(3,11-16)12-19(15)10-13-4-6-14(18)7-5-13/h4-7,15H,8-12H2,1-3H3/t15-,17-/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)=83.9739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.839 g/mol  logS: -4.40392  SlogP: 5.007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.220155  Sterimol/B1: 2.52368  Sterimol/B2: 2.74663  Sterimol/B3: 5.56383
  Sterimol/B4: 6.87173  Sterimol/L: 14.5041 
 
 Surface and Volume Properties
  Accessible surface: 504.564  Positive charged surface: 310.438  Negative charged surface: 194.125  Volume: 289.875
  Hydrophobic surface: 450.852  Hydrophilic surface: 53.712
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   
Parent related molecule:


MMs00577665
CHEMBLOCK-ZINC04761220