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PUBCHEM-ZINC06072477

 MMsINC code: MMs03525313
Type: Neutral
Formula: C3H5O7P
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)/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=-2.75151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.04 g/mol  logS: 1.0736  SlogP: -2.934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101804  Sterimol/B1: 2.54713  Sterimol/B2: 3.15935  Sterimol/B3: 3.73783
  Sterimol/B4: 4.1627  Sterimol/L: 10.6246 
 
 Surface and Volume Properties
  Accessible surface: 312.52  Positive charged surface: 155.729  Negative charged surface: 156.791  Volume: 121.75
  Hydrophobic surface: 18.1224  Hydrophilic surface: 294.3976
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  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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Ions/Tautomers related molecules


MMs03525314
PUBCHEM-ZINC06072477