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PUBCHEM-ZINC06068358

 MMsINC code: MMs03521267
Type: Neutral
Formula: C3H10NO3P
SMILES:   P(O)(=O)(C(N)CO)C
InChI:   InChI=1/C3H10NO3P/c1-8(6,7)3(4)2-5/h3,5H,2,4H2,1H3,(H,6,7)/t3-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.5386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 139.091 g/mol  logS: 1.61881  SlogP: -1.9065  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.247061  Sterimol/B1: 2.40968  Sterimol/B2: 2.92145  Sterimol/B3: 3.79864
  Sterimol/B4: 4.5778  Sterimol/L: 8.21022 
 
 Surface and Volume Properties
  Accessible surface: 300.567  Positive charged surface: 210.699  Negative charged surface: 89.868  Volume: 119.625
  Hydrophobic surface: 107.044  Hydrophilic surface: 193.523
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.