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NCID-ZINC03869232

 MMsINC code: MMs02381135
Type: Neutral
Formula: C3H7O7P
SMILES:   P(OC(C(O)=O)CO)(O)(O)=O
InChI:   InChI=1/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=-59.7582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.056 g/mol  logS: 1.03112  SlogP: -2.529  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136066  Sterimol/B1: 2.36365  Sterimol/B2: 2.81776  Sterimol/B3: 3.3259
  Sterimol/B4: 4.97977  Sterimol/L: 9.51033 
 
 Surface and Volume Properties
  Accessible surface: 332.759  Positive charged surface: 188.461  Negative charged surface: 144.298  Volume: 128.75
  Hydrophobic surface: 55.5144  Hydrophilic surface: 277.2446
 
 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


MMs02381136
NCID-ZINC03869232