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NCID-ZINC04758774

 MMsINC code: MMs02400951
Type: Neutral
Formula: C30H26O6
SMILES:   O(C(COC(=O)\C=C/c1ccccc1)COC(=O)\C=C\c1ccccc1)C(=O)\C=C/c1cc
ccc1
InChI:   InChI=1/C30H26O6/c31-28(19-16-24-10-4-1-5-11-24)34-22-27(36-30(33)21-18-26-14-8-3-9-15-26)23-35-29(32)20-17-25-12-6-2-7-13-25/h1-21,27H,22-23H2/b19-16-,20-17+,21-18-/t27-/m0/s1

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Potential Energy
Epot(MMFF94)=147.186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.532 g/mol  logS: -7.63621  SlogP: 5.1248  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0404468  Sterimol/B1: 3.41231  Sterimol/B2: 3.98005  Sterimol/B3: 4.78645
  Sterimol/B4: 9.19295  Sterimol/L: 22.2356 
 
 Surface and Volume Properties
  Accessible surface: 835.711  Positive charged surface: 478.156  Negative charged surface: 357.555  Volume: 474.375
  Hydrophobic surface: 769.194  Hydrophilic surface: 66.517
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.