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PUBCHEM-ZINC06499676

 MMsINC code: MMs03769113
Type: Neutral
Formula: C3H7O6P
SMILES:   P(O)(O)(=O)C(O)(C(O)=O)C
InChI:   InChI=1/C3H7O6P/c1-3(6,2(4)5)10(7,8)9/h6H,1H3,(H,4,5)(H2,7,8,9)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-14.0187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.057 g/mol  logS: 0.90251  SlogP: -2.113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.442374  Sterimol/B1: 2.07131  Sterimol/B2: 3.26093  Sterimol/B3: 4.1488
  Sterimol/B4: 5.10116  Sterimol/L: 8.39379 
 
 Surface and Volume Properties
  Accessible surface: 306.085  Positive charged surface: 161.329  Negative charged surface: 144.756  Volume: 120.625
  Hydrophobic surface: 47.4798  Hydrophilic surface: 258.6052
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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


MMs03769114
PUBCHEM-ZINC06499676