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PUBCHEM-ZINC02168389

 MMsINC code: MMs02879504
Type: Neutral
Formula: C7H16NO4P
SMILES:   P(OCC)(OCC)(=O)C(=O)N(C)C
InChI:   InChI=1/C7H16NO4P/c1-5-11-13(10,12-6-2)7(9)8(3)4/h5-6H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.4501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.182 g/mol  logS: -0.38834  SlogP: 0.8639  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10051  Sterimol/B1: 2.16189  Sterimol/B2: 2.55478  Sterimol/B3: 4.29213
  Sterimol/B4: 7.84697  Sterimol/L: 12.3302 
 
 Surface and Volume Properties
  Accessible surface: 426.83  Positive charged surface: 323.162  Negative charged surface: 103.669  Volume: 198.25
  Hydrophobic surface: 308.884  Hydrophilic surface: 117.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.