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PUBCHEM-ZINC05410752

 MMsINC code: MMs03260305
Type: Neutral
Formula: C3H10NO4P
SMILES:   P(O)(O)(=O)C(N)CCO
InChI:   InChI=1/C3H10NO4P/c4-3(1-2-5)9(6,7)8/h3,5H,1-2,4H2,(H2,6,7,8)/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=-7.95618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.09 g/mol  logS: 1.50766  SlogP: -2.2389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181898  Sterimol/B1: 2.82201  Sterimol/B2: 3.07662  Sterimol/B3: 3.54589
  Sterimol/B4: 5.23675  Sterimol/L: 9.53171 
 
 Surface and Volume Properties
  Accessible surface: 311.74  Positive charged surface: 209.283  Negative charged surface: 102.457  Volume: 124.25
  Hydrophobic surface: 82.3952  Hydrophilic surface: 229.3448
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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: 1
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Ions/Tautomers related molecules: no related molecules available.