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ACROSORGANICS-ZINC03830897

 MMsINC code: MMs00015172
Type: Neutral
Formula: C3H9O6P
SMILES:   P(OC(CO)CO)(O)(O)=O
InChI:   InChI=1/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)

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Potential Energy
Epot(MMFF94)=-39.7485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.073 g/mol  logS: 1.2295  SlogP: -2.6213  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177057  Sterimol/B1: 2.30741  Sterimol/B2: 2.77311  Sterimol/B3: 3.27474
  Sterimol/B4: 4.91078  Sterimol/L: 9.30482 
 
 Surface and Volume Properties
  Accessible surface: 333.838  Positive charged surface: 227.206  Negative charged surface: 106.632  Volume: 126.875
  Hydrophobic surface: 99.6505  Hydrophilic surface: 234.1875
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00015173
ACROSORGANICS-ZINC03830897