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PUBCHEM-ZINC05997034

 MMsINC code: MMs03481049
Type: Neutral
Formula: C10H14NO5P
SMILES:   P(Oc1ccccc1)(O)(=O)CNCC(OC)=O
InChI:   InChI=1/C10H14NO5P/c1-15-10(12)7-11-8-17(13,14)16-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=67.5938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.198 g/mol  logS: -0.84889  SlogP: -0.0993  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0600802  Sterimol/B1: 2.53157  Sterimol/B2: 3.2064  Sterimol/B3: 4.20054
  Sterimol/B4: 5.16967  Sterimol/L: 15.6615 
 
 Surface and Volume Properties
  Accessible surface: 475.026  Positive charged surface: 312.741  Negative charged surface: 162.285  Volume: 226.625
  Hydrophobic surface: 347.949  Hydrophilic surface: 127.077
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.