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PUBCHEM-ZINC06403288

 MMsINC code: MMs03707903
Type: Neutral
Formula: C10H14NO3P
SMILES:   P(OC)(=O)(\C(=N/O)\Cc1ccccc1)C
InChI:   InChI=1/C10H14NO3P/c1-14-15(2,13)10(11-12)8-9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3/b11-10+/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=64.0878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.2 g/mol  logS: -1.38872  SlogP: 1.50087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202204  Sterimol/B1: 2.19438  Sterimol/B2: 3.89131  Sterimol/B3: 5.33736
  Sterimol/B4: 6.09308  Sterimol/L: 11.9114 
 
 Surface and Volume Properties
  Accessible surface: 434.448  Positive charged surface: 286.486  Negative charged surface: 147.961  Volume: 211.875
  Hydrophobic surface: 323.347  Hydrophilic surface: 111.101
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.