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PUBCHEM-ZINC03165029

 MMsINC code: MMs03004042
Type: Neutral
Formula: C6H16NO3P
SMILES:   P(OCC)(OCC)(=O)CNC
InChI:   InChI=1/C6H16NO3P/c1-4-9-11(8,6-7-3)10-5-2/h7H,4-6H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.1501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.172 g/mol  logS: 0.26176  SlogP: 0.3592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104765  Sterimol/B1: 2.33263  Sterimol/B2: 2.78187  Sterimol/B3: 4.04437
  Sterimol/B4: 7.50406  Sterimol/L: 12.013 
 
 Surface and Volume Properties
  Accessible surface: 404.582  Positive charged surface: 316.948  Negative charged surface: 87.6336  Volume: 177.625
  Hydrophobic surface: 292.677  Hydrophilic surface: 111.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.