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PUBCHEM-ZINC03869323

 MMsINC code: MMs03078453
Type: Neutral
Formula: C5H12NO7P
SMILES:   P(OCC1OC(N)C(O)C1O)(O)(O)=O
InChI:   InChI=1/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)/t2-,3+,4+,5-/m1/s1

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Potential Energy
Epot(MMFF94)=-25.7128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.125 g/mol  logS: 1.36593  SlogP: -3.5691  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103155  Sterimol/B1: 3.32194  Sterimol/B2: 3.32423  Sterimol/B3: 3.52866
  Sterimol/B4: 4.73481  Sterimol/L: 11.9681 
 
 Surface and Volume Properties
  Accessible surface: 401.788  Positive charged surface: 270.816  Negative charged surface: 130.972  Volume: 173.25
  Hydrophobic surface: 101.648  Hydrophilic surface: 300.14
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03078454
PUBCHEM-ZINC03869323