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PUBCHEM-ZINC05859732

 MMsINC code: MMs03421542
Type: Neutral
Formula: C13H16NO5P
SMILES:   P(Oc1noc(c1)-c1ccccc1)(OCC)(OCC)=O
InChI:   InChI=1/C13H16NO5P/c1-3-16-20(15,17-4-2)19-13-10-12(18-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=33.2161 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.247 g/mol  logS: -3.57523  SlogP: 2.8313  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300623  Sterimol/B1: 2.25972  Sterimol/B2: 2.38272  Sterimol/B3: 3.74879
  Sterimol/B4: 7.83669  Sterimol/L: 16.7506 
 
 Surface and Volume Properties
  Accessible surface: 546.894  Positive charged surface: 317.285  Negative charged surface: 229.61  Volume: 266.875
  Hydrophobic surface: 420.253  Hydrophilic surface: 126.641
 
 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.