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PUBCHEM-ZINC05459291

 MMsINC code: MMs03276026
Type: Neutral
Formula: C13H20NO4P
SMILES:   P(OCC)(OCC)(O\N=C(/CC)\c1ccccc1)=O
InChI:   InChI=1/C13H20NO4P/c1-4-13(12-10-8-7-9-11-12)14-18-19(15,16-5-2)17-6-3/h7-11H,4-6H2,1-3H3/b14-13-

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Potential Energy
Epot(MMFF94)=59.063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.28 g/mol  logS: -2.91365  SlogP: 2.9282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154753  Sterimol/B1: 2.61243  Sterimol/B2: 4.13793  Sterimol/B3: 4.37623
  Sterimol/B4: 7.89319  Sterimol/L: 13.7647 
 
 Surface and Volume Properties
  Accessible surface: 554.985  Positive charged surface: 348.434  Negative charged surface: 206.551  Volume: 275.5
  Hydrophobic surface: 423.863  Hydrophilic surface: 131.122
 
 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.