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PUBCHEM-ZINC05975509

 MMsINC code: MMs03471008
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+/m1/s1

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Potential Energy
Epot(MMFF94)=-33.7855 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: 0.0781708  Sterimol/B1: 2.71016  Sterimol/B2: 3.24051  Sterimol/B3: 3.25597
  Sterimol/B4: 3.68634  Sterimol/L: 12.9438 
 
 Surface and Volume Properties
  Accessible surface: 378.276  Positive charged surface: 234.641  Negative charged surface: 143.634  Volume: 152.5
  Hydrophobic surface: 90.6627  Hydrophilic surface: 287.6133
 
 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


MMs03471009
PUBCHEM-ZINC05975509