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PUBCHEM-ZINC05996459

 MMsINC code: MMs03480480
Type: Neutral
Formula: C3H11N2O2P
SMILES:   P(OC)(=O)(NC)NC
InChI:   InChI=1/C3H11N2O2P/c1-4-8(6,5-2)7-3/h1-3H3,(H2,4,5,6)

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Potential Energy
Epot(MMFF94)=-50.1995 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.107 g/mol  logS: 1.2486  SlogP: -0.8905  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152563  Sterimol/B1: 2.48698  Sterimol/B2: 2.56412  Sterimol/B3: 3.40827
  Sterimol/B4: 5.29672  Sterimol/L: 9.76838 
 
 Surface and Volume Properties
  Accessible surface: 308.777  Positive charged surface: 255.391  Negative charged surface: 53.3856  Volume: 127.125
  Hydrophobic surface: 215.831  Hydrophilic surface: 92.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.