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


NCID-ZINC05567451

 MMsINC code: MMs02476065
Type: Neutral
Formula: C20H24O7
SMILES:   O1CC(Cc2cc(OC)c(O)cc2)C(O)(Cc2cc(OC)c(O)cc2)C1O
InChI:   InChI=1/C20H24O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,19,21-24H,7,10-11H2,1-2H3/t14-,19+,20+/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)=153.181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.405 g/mol  logS: -2.4696  SlogP: 1.59604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0706671  Sterimol/B1: 2.3014  Sterimol/B2: 2.95906  Sterimol/B3: 4.59105
  Sterimol/B4: 7.22816  Sterimol/L: 17.4104 
 
 Surface and Volume Properties
  Accessible surface: 608.201  Positive charged surface: 445.716  Negative charged surface: 162.484  Volume: 345.5
  Hydrophobic surface: 431.892  Hydrophilic surface: 176.309
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.