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PUBCHEM-ZINC05830202

 MMsINC code: MMs03405059
Type: Neutral
Formula: C3H7O6P
SMILES:   P(OC(CO)C=O)(O)(O)=O
InChI:   InChI=1/C3H7O6P/c4-1-3(2-5)9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-56.7991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.057 g/mol  logS: 0.99441  SlogP: -2.4147  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.146849  Sterimol/B1: 2.44943  Sterimol/B2: 2.79592  Sterimol/B3: 3.2273
  Sterimol/B4: 4.59797  Sterimol/L: 9.38243 
 
 Surface and Volume Properties
  Accessible surface: 317.743  Positive charged surface: 189.372  Negative charged surface: 128.372  Volume: 122.25
  Hydrophobic surface: 76.812  Hydrophilic surface: 240.931
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03405060
PUBCHEM-ZINC05830202