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


MICROSOURCE-ZINC03979083

 MMsINC code: MMs02189552
Type: Neutral
Formula: C23H22O7
SMILES:   O1c2cc(O)c3c(OC4C(c5cc(OC)c(OC)cc5OC4)C3=O)c2CC1C(C)=C
InChI:   InChI=1/C23H22O7/c1-10(2)14-6-12-16(29-14)7-13(24)21-22(25)20-11-5-17(26-3)18(27-4)8-15(11)28-9-19(20)30-23(12)21/h5,7-8,14,19-20,24H,1,6,9H2,2-4H3/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)=134.936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.422 g/mol  logS: -4.2784  SlogP: 3.40887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.197949  Sterimol/B1: 4.25104  Sterimol/B2: 5.10296  Sterimol/B3: 5.10746
  Sterimol/B4: 6.01118  Sterimol/L: 15.4416 
 
 Surface and Volume Properties
  Accessible surface: 650.266  Positive charged surface: 468.074  Negative charged surface: 182.193  Volume: 373.25
  Hydrophobic surface: 510.332  Hydrophilic surface: 139.934
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.