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NCID-ZINC01682479

 MMsINC code: MMs02316212
Type: Neutral
Formula: C13H11O3P
SMILES:   P(O)(O)(=O)C1c2c(-c3c1cccc3)cccc2
InChI:   InChI=1/C13H11O3P/c14-17(15,16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,(H2,14,15,16)

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Potential Energy
Epot(MMFF94)=37.9119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.202 g/mol  logS: -3.2377  SlogP: 1.9594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0632378  Sterimol/B1: 2.74634  Sterimol/B2: 3.22086  Sterimol/B3: 3.66603
  Sterimol/B4: 6.98582  Sterimol/L: 12.0216 
 
 Surface and Volume Properties
  Accessible surface: 414.977  Positive charged surface: 191.525  Negative charged surface: 215.131  Volume: 218.625
  Hydrophobic surface: 304.071  Hydrophilic surface: 110.906
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.