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NCID-ZINC01720907

 MMsINC code: MMs02345808
Type: Neutral
Formula: C4H12NO3P
SMILES:   P(O)(O)(=O)C(CN)(C)C
InChI:   InChI=1/C4H12NO3P/c1-4(2,3-5)9(6,7)8/h3,5H2,1-2H3,(H2,6,7,8)

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Potential Energy
Epot(MMFF94)=-30.8235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.118 g/mol  logS: 0.7332  SlogP: -1.1688  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.516931  Sterimol/B1: 2.19346  Sterimol/B2: 3.60317  Sterimol/B3: 3.78149
  Sterimol/B4: 5.89328  Sterimol/L: 8.64189 
 
 Surface and Volume Properties
  Accessible surface: 312.153  Positive charged surface: 206.962  Negative charged surface: 105.191  Volume: 134.375
  Hydrophobic surface: 112.107  Hydrophilic surface: 200.046
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.