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PUBCHEM-ZINC00900156

 MMsINC code: MMs02742087
Type: Neutral
Formula: C12H11NO4
SMILES:   O1c2c3N(C)C(=O)C=C(OC)c3ccc2OC1
InChI:   InChI=1/C12H11NO4/c1-13-10(14)5-9(15-2)7-3-4-8-12(11(7)13)17-6-16-8/h3-5H,6H2,1-2H3

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Potential Energy
Epot(MMFF94)=61.8309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.223 g/mol  logS: -2.15071  SlogP: 1.379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0243599  Sterimol/B1: 2.39648  Sterimol/B2: 2.48553  Sterimol/B3: 2.84471
  Sterimol/B4: 7.59636  Sterimol/L: 12.9032 
 
 Surface and Volume Properties
  Accessible surface: 413.901  Positive charged surface: 313.113  Negative charged surface: 100.788  Volume: 208.375
  Hydrophobic surface: 325.827  Hydrophilic surface: 88.074
 
 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.