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PUBCHEM-ZINC05131798

 MMsINC code: MMs03206690
Type: Neutral
Formula: C3H10O9P2
SMILES:   P(OC(COP(O)(O)=O)CO)(O)(O)=O
InChI:   InChI=1/C3H10O9P2/c4-1-3(12-14(8,9)10)2-11-13(5,6)7/h3-4H,1-2H2,(H2,5,6,7)(H2,8,9,10)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-117.391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.052 g/mol  logS: 1.44192  SlogP: -3.5745  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152536  Sterimol/B1: 2.1975  Sterimol/B2: 3.16488  Sterimol/B3: 3.34402
  Sterimol/B4: 5.90042  Sterimol/L: 11.6726 
 
 Surface and Volume Properties
  Accessible surface: 413.062  Positive charged surface: 239.119  Negative charged surface: 173.943  Volume: 170.5
  Hydrophobic surface: 83.7061  Hydrophilic surface: 329.3559
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 9  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: 0
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Ions/Tautomers related molecules


MMs03206691
PUBCHEM-ZINC05131798