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PUBCHEM-ZINC05853250

 MMsINC code: MMs03418101
Type: Neutral
Formula: C4H12NO3P
SMILES:   P(OC)(OC)(=O)NCC
InChI:   InChI=1/C4H12NO3P/c1-4-5-9(6,7-2)8-3/h4H2,1-3H3,(H,5,6)

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Potential Energy
Epot(MMFF94)=-31.2447 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.118 g/mol  logS: 0.36412  SlogP: -0.0734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13197  Sterimol/B1: 2.10871  Sterimol/B2: 2.74134  Sterimol/B3: 3.03996
  Sterimol/B4: 6.37897  Sterimol/L: 9.5156 
 
 Surface and Volume Properties
  Accessible surface: 336.507  Positive charged surface: 261.834  Negative charged surface: 74.6729  Volume: 139.5
  Hydrophobic surface: 247.394  Hydrophilic surface: 89.113
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.