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PUBCHEM-ZINC06072477

 MMsINC code: MMs03525314
Type: Ionized
Formula: C3H4O7P-
SMILES:   P(O)(O)(=O)C(O)C(=O)C(=O)[O-]
InChI:   InChI=1/C3H5O7P/c4-1(2(5)6)3(7)11(8,9)10/h3,7H,(H,5,6)(H2,8,9,10)/p-1/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=-20.9767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.032 g/mol  logS: 0.81315  SlogP: -4.2687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106637  Sterimol/B1: 2.56813  Sterimol/B2: 3.03642  Sterimol/B3: 3.95921
  Sterimol/B4: 4.03799  Sterimol/L: 10.0473 
 
 Surface and Volume Properties
  Accessible surface: 296.054  Positive charged surface: 109.936  Negative charged surface: 186.118  Volume: 116.125
  Hydrophobic surface: 19.1681  Hydrophilic surface: 276.8859
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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Parent related molecule:


MMs03525313
PUBCHEM-ZINC06072477