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CHEMSTAR-ZINC04108344

 MMsINC code: MMs01103135
Type: Neutral
Formula: C24H26O7
SMILES:   O(Cc1ccccc1)c1ccc(cc1)C1C(C(OC)=O)C(O)(CC(=O)C1C(OC)=O)C
InChI:   InChI=1/C24H26O7/c1-24(28)13-18(25)20(22(26)29-2)19(21(24)23(27)30-3)16-9-11-17(12-10-16)31-14-15-7-5-4-6-8-15/h4-12,19-21,28H,13-14H2,1-3H3/t19-,20-,21+,24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=211.13 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.465 g/mol  logS: -3.92883  SlogP: 2.9178  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128332  Sterimol/B1: 3.28846  Sterimol/B2: 5.07182  Sterimol/B3: 5.16283
  Sterimol/B4: 8.68148  Sterimol/L: 16.2665 
 
 Surface and Volume Properties
  Accessible surface: 660.174  Positive charged surface: 448.41  Negative charged surface: 211.764  Volume: 388.875
  Hydrophobic surface: 531.044  Hydrophilic surface: 129.13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.