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PUBCHEM-ZINC05131952

 MMsINC code: MMs03206884
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-/m1/s1

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Potential Energy
Epot(MMFF94)=-117.489 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: 0.161394  Sterimol/B1: 2.06504  Sterimol/B2: 3.26989  Sterimol/B3: 3.3506
  Sterimol/B4: 6.29525  Sterimol/L: 11.3708 
 
 Surface and Volume Properties
  Accessible surface: 407.376  Positive charged surface: 235.803  Negative charged surface: 171.574  Volume: 171.625
  Hydrophobic surface: 83.5828  Hydrophilic surface: 323.7932
 
 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


MMs03206885
PUBCHEM-ZINC05131952