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


NCID-ZINC04934348

 MMsINC code: MMs02417123
Type: Neutral
Formula: C30H46O3
SMILES:   O=C1CCC2(C(CCC3(C2CC=C2C4C(C)C(CCC4(CCC23C)C)C(O)=O)C)C1(C)C
)C
InChI:   InChI=1/C30H46O3/c1-18-19(25(32)33)10-13-27(4)16-17-29(6)20(24(18)27)8-9-22-28(5)14-12-23(31)26(2,3)21(28)11-15-30(22,29)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,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)=209.863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.695 g/mol  logS: -8.82939  SlogP: 7.2977  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143161  Sterimol/B1: 2.24267  Sterimol/B2: 3.83769  Sterimol/B3: 4.63748
  Sterimol/B4: 7.32361  Sterimol/L: 17.0065 
 
 Surface and Volume Properties
  Accessible surface: 641.42  Positive charged surface: 434.662  Negative charged surface: 206.758  Volume: 465.5
  Hydrophobic surface: 428.001  Hydrophilic surface: 213.419
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02417124
NCID-ZINC04934348