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PUBCHEM-ZINC06578891

 MMsINC code: MMs03806287
Type: Neutral
Formula: C7H10NO6P2-
SMILES:   P(O)(O)(=O)C(P(O)(O)=O)([NH-])c1ccccc1
InChI:   InChI=1/C7H10NO6P2/c8-7(15(9,10)11,16(12,13)14)6-4-2-1-3-5-6/h1-5,8H,(H2,9,10,11)(H2,12,13,14)/q-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.6941 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.106 g/mol  logS: 0.15293  SlogP: -1.3937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.247611  Sterimol/B1: 3.60773  Sterimol/B2: 3.73962  Sterimol/B3: 4.11087
  Sterimol/B4: 5.73789  Sterimol/L: 11.122 
 
 Surface and Volume Properties
  Accessible surface: 400.436  Positive charged surface: 197.882  Negative charged surface: 202.554  Volume: 198.875
  Hydrophobic surface: 148.963  Hydrophilic surface: 251.473
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 6  Acid groups: 1  Basic groups: 0
  Chiral centers: 0
 
 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.