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


NCID-ZINC05640838

 MMsINC code: MMs02481985
Type: Neutral
Formula: C26H32O6
SMILES:   O1C(C2(C3(OC3C1=O)C1(C(CC2)C2(C(CC1O)C(C)(C)C(=O)C=C2)C)C)C)
c1ccoc1
InChI:   InChI=1/C26H32O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h7-9,11,13,15-16,18-20,28H,6,10,12H2,1-5H3/t15-,16+,18-,19-,20+,23+,24+,25+,26+/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)=192.935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.536 g/mol  logS: -5.38496  SlogP: 4.0854  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.163654  Sterimol/B1: 3.40756  Sterimol/B2: 4.98007  Sterimol/B3: 4.98115
  Sterimol/B4: 5.72721  Sterimol/L: 15.9007 
 
 Surface and Volume Properties
  Accessible surface: 597.199  Positive charged surface: 339.816  Negative charged surface: 257.384  Volume: 412.625
  Hydrophobic surface: 377.441  Hydrophilic surface: 219.758
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.