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AURORAFEINCHEMIE-ZINC02565968

 MMsINC code: MMs00454876
Type: Neutral
Formula: C3H9O3P
SMILES:   P(O)(O)(=O)C(C)C
InChI:   InChI=1/C3H9O3P/c1-3(2)7(4,5)6/h3H,1-2H3,(H2,4,5,6)

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Potential Energy
Epot(MMFF94)=-43.8463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.076 g/mol  logS: 0.42456  SlogP: -0.4977  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.240855  Sterimol/B1: 2.2921  Sterimol/B2: 2.86585  Sterimol/B3: 3.71907
  Sterimol/B4: 4.91784  Sterimol/L: 8.08201 
 
 Surface and Volume Properties
  Accessible surface: 282.216  Positive charged surface: 170.022  Negative charged surface: 112.194  Volume: 107.25
  Hydrophobic surface: 110.546  Hydrophilic surface: 171.67
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.