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


NANOSIN-ZINC04258705

 MMsINC code: MMs02205906
Type: Neutral
Formula: C34H56O2
SMILES:   O(C(=O)C1CCCCC1)C1CC2C=CC3C4CCC(C(CCCC(C)C)C)C4(CCC3C2(CC1)C
)C
InChI:   InChI=1/C34H56O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h14-15,23-31H,6-13,16-22H2,1-5H3/t24-,26-,27-,28+,29+,30-,31+,33-,34+/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)=187.462 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 496.82 g/mol  logS: -12.6735  SlogP: 9.3758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0379494  Sterimol/B1: 3.91672  Sterimol/B2: 4.12696  Sterimol/B3: 4.12722
  Sterimol/B4: 8.34561  Sterimol/L: 24.2015 
 
 Surface and Volume Properties
  Accessible surface: 837.903  Positive charged surface: 645.451  Negative charged surface: 192.452  Volume: 543.75
  Hydrophobic surface: 708.847  Hydrophilic surface: 129.056
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 9
 
 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: no related molecules available.