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ACROSORGANICS-ZINC04283486

 MMsINC code: MMs00017882
Type: Neutral
Formula: C4H12NO3P
SMILES:   P(O)(O)(=O)C(N)(CC)C
InChI:   InChI=1/C4H12NO3P/c1-3-4(2,5)9(6,7)8/h3,5H2,1-2H3,(H2,6,7,8)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=-5.29326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.118 g/mol  logS: 0.47547  SlogP: -0.8212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.293652  Sterimol/B1: 3.17344  Sterimol/B2: 3.5066  Sterimol/B3: 3.75039
  Sterimol/B4: 3.81363  Sterimol/L: 9.56925 
 
 Surface and Volume Properties
  Accessible surface: 310.828  Positive charged surface: 189.868  Negative charged surface: 120.96  Volume: 135.75
  Hydrophobic surface: 112.317  Hydrophilic surface: 198.511
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.