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IBS-ZINC01915328

 MMsINC code: MMs01780544
Type: Neutral
Formula: C4H12NO2P
SMILES:   P(O)(=O)(CCCN)C
InChI:   InChI=1/C4H12NO2P/c1-8(6,7)4-2-3-5/h2-5H2,1H3,(H,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-11.3791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 137.119 g/mol  logS: 1.09523  SlogP: -0.8348  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0915397  Sterimol/B1: 2.28893  Sterimol/B2: 2.85032  Sterimol/B3: 3.27431
  Sterimol/B4: 4.14171  Sterimol/L: 11.1833 
 
 Surface and Volume Properties
  Accessible surface: 330.094  Positive charged surface: 237.75  Negative charged surface: 92.3437  Volume: 131.25
  Hydrophobic surface: 162.761  Hydrophilic surface: 167.333
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.