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PUBCHEM-ZINC04102414

 MMsINC code: MMs03091889
Type: Neutral
Formula: C4H10NO6P
SMILES:   P(OCC(O)C(O)C=N)(O)(O)=O
InChI:   InChI=1/C4H10NO6P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-7H,2H2,(H2,8,9,10)/b5-1-/t3-,4+/m1/s1

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Potential Energy
Epot(MMFF94)=-34.1143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.099 g/mol  logS: 0.99619  SlogP: -2.60313  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0807435  Sterimol/B1: 2.52303  Sterimol/B2: 3.43677  Sterimol/B3: 3.46222
  Sterimol/B4: 3.70463  Sterimol/L: 12.4004 
 
 Surface and Volume Properties
  Accessible surface: 369.236  Positive charged surface: 217.18  Negative charged surface: 152.056  Volume: 152.5
  Hydrophobic surface: 71.9629  Hydrophilic surface: 297.2731
 
 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


MMs03091890
PUBCHEM-ZINC04102414