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PUBCHEM-ZINC05112666

 MMsINC code: MMs03201087
Type: Neutral
Formula: C3H5O7P
SMILES:   P(OC(C(O)=O)C=O)(O)(O)=O
InChI:   InChI=1/C3H5O7P/c4-1-2(3(5)6)10-11(7,8)9/h1-2H,(H,5,6)(H2,7,8,9)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=-65.526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.04 g/mol  logS: 0.79603  SlogP: -2.3224  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.102941  Sterimol/B1: 2.37916  Sterimol/B2: 2.56136  Sterimol/B3: 3.23572
  Sterimol/B4: 4.98866  Sterimol/L: 10.07 
 
 Surface and Volume Properties
  Accessible surface: 322.775  Positive charged surface: 158.334  Negative charged surface: 164.442  Volume: 124
  Hydrophobic surface: 30.6521  Hydrophilic surface: 292.1229
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs03201088
PUBCHEM-ZINC05112666