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IBS-ZINC02323775

 MMsINC code: MMs01832304
Type: Neutral
Formula: C12H11O3P
SMILES:   P(O)(O)(=O)C(=C)c1c2c(ccc1)cccc2
InChI:   InChI=1/C12H11O3P/c1-9(16(13,14)15)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H2,(H2,13,14,15)

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Potential Energy
Epot(MMFF94)=6.19097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.191 g/mol  logS: -3.12858  SlogP: 1.918  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136204  Sterimol/B1: 2.25262  Sterimol/B2: 4.08497  Sterimol/B3: 5.51552
  Sterimol/B4: 5.94227  Sterimol/L: 11.9877 
 
 Surface and Volume Properties
  Accessible surface: 421.329  Positive charged surface: 207.542  Negative charged surface: 204.632  Volume: 212.125
  Hydrophobic surface: 271.943  Hydrophilic surface: 149.386
 
 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.