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PUBCHEM-ZINC00339685

 MMsINC code: MMs02658934
Type: Neutral
Formula: C11H9NO3
SMILES:   OC=1c2c(cccc2)C(=O)NC=1C(=O)C
InChI:   InChI=1/C11H9NO3/c1-6(13)9-10(14)7-4-2-3-5-8(7)11(15)12-9/h2-5,14H,1H3,(H,12,15)

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Potential Energy
Epot(MMFF94)=46.4983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.197 g/mol  logS: -2.23757  SlogP: 1.2456  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00932926  Sterimol/B1: 2.33623  Sterimol/B2: 2.40349  Sterimol/B3: 4.36539
  Sterimol/B4: 4.48979  Sterimol/L: 12.3931 
 
 Surface and Volume Properties
  Accessible surface: 374.113  Positive charged surface: 208.547  Negative charged surface: 165.566  Volume: 181.375
  Hydrophobic surface: 252.083  Hydrophilic surface: 122.03
 
 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.