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DSC-ZINC02572429

 MMsINC code: MMs01221761
Type: Neutral
Formula: C24H20O7P2
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(OP(Oc1ccccc1)(Oc1ccccc1)=O)=O
InChI:   InChI=1/C24H20O7P2/c25-32(27-21-13-5-1-6-14-21,28-22-15-7-2-8-16-22)31-33(26,29-23-17-9-3-10-18-23)30-24-19-11-4-12-20-24/h1-20H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.365 g/mol  logS: -6.80702  SlogP: 5.3948  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.247199  Sterimol/B1: 2.32593  Sterimol/B2: 6.29323  Sterimol/B3: 6.40139
  Sterimol/B4: 7.97011  Sterimol/L: 16.7784 
 
 Surface and Volume Properties
  Accessible surface: 704.925  Positive charged surface: 388.126  Negative charged surface: 316.799  Volume: 424.25
  Hydrophobic surface: 659.855  Hydrophilic surface: 45.07
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.