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


NCID-ZINC01700116

 MMsINC code: MMs02329966
Type: Neutral
Formula: C32H47NO
SMILES:   OC(CN(CCCC(C)C)CCCC(C)C)c1cc(c2c(c1)c1c(cc(cc1)C(C)C)cc2)C
InChI:   InChI=1/C32H47NO/c1-22(2)10-8-16-33(17-9-11-23(3)4)21-32(34)28-18-25(7)29-14-13-27-19-26(24(5)6)12-15-30(27)31(29)20-28/h12-15,18-20,22-24,32,34H,8-11,16-17,21H2,1-7H3/t32-/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)=127.595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 461.734 g/mol  logS: -10.9371  SlogP: 8.72812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0878577  Sterimol/B1: 2.54758  Sterimol/B2: 2.5624  Sterimol/B3: 7.156
  Sterimol/B4: 12.5698  Sterimol/L: 19.6699 
 
 Surface and Volume Properties
  Accessible surface: 887.787  Positive charged surface: 603.11  Negative charged surface: 262.726  Volume: 521.75
  Hydrophobic surface: 734.111  Hydrophilic surface: 153.676
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02329967
NCID-ZINC01700116