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


NCID-ZINC05762327

 MMsINC code: MMs02496333
Type: Neutral
Formula: C30H48O2
SMILES:   OC1C2C(C)(C)C(=O)CCC2(C2CC=C3C4CC(CCC4(CCC3(C)C2(C1)C)C)(C)C
)C
InChI:   InChI=1/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)17-25)9-10-22-28(6)12-11-23(32)26(3,4)24(28)21(31)18-30(22,29)8/h9,20-22,24,31H,10-18H2,1-8H3/t20-,21+,22+,24-,27+,28+,29+,30+/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)=215.736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.712 g/mol  logS: -9.0763  SlogP: 7.3479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13776  Sterimol/B1: 2.55434  Sterimol/B2: 3.03133  Sterimol/B3: 5.971
  Sterimol/B4: 6.37017  Sterimol/L: 16.5557 
 
 Surface and Volume Properties
  Accessible surface: 636.701  Positive charged surface: 449.522  Negative charged surface: 187.179  Volume: 466.875
  Hydrophobic surface: 462.593  Hydrophilic surface: 174.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 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.