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PUBCHEM-ZINC03581111

 MMsINC code: MMs03016953
Type: Neutral
Formula: C4H11O7P
SMILES:   P(OCC(O)C(O)CO)(O)(O)=O
InChI:   InChI=1/C4H11O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+/m0/s1

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Potential Energy
Epot(MMFF94)=-33.6549 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.099 g/mol  logS: 1.43204  SlogP: -3.2604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0718714  Sterimol/B1: 2.4732  Sterimol/B2: 3.38886  Sterimol/B3: 3.54953
  Sterimol/B4: 3.6061  Sterimol/L: 12.9707 
 
 Surface and Volume Properties
  Accessible surface: 378.046  Positive charged surface: 235.828  Negative charged surface: 142.218  Volume: 153
  Hydrophobic surface: 90.3056  Hydrophilic surface: 287.7404
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03016954
PUBCHEM-ZINC03581111