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NCID-ZINC01661239

 MMsINC code: MMs02298365
Type: Neutral
Formula: C5H14NO3P
SMILES:   P(OCC)(OCC)(=O)NC
InChI:   InChI=1/C5H14NO3P/c1-4-8-10(7,6-3)9-5-2/h4-5H2,1-3H3,(H,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-33.8841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.145 g/mol  logS: 0.03691  SlogP: 0.3167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125989  Sterimol/B1: 2.42622  Sterimol/B2: 2.64785  Sterimol/B3: 4.40246
  Sterimol/B4: 5.7631  Sterimol/L: 12.2458 
 
 Surface and Volume Properties
  Accessible surface: 375.582  Positive charged surface: 281.072  Negative charged surface: 94.5104  Volume: 158.875
  Hydrophobic surface: 262.315  Hydrophilic surface: 113.267
 
 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.