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NCID-ZINC03873983

 MMsINC code: MMs02381647
Type: Neutral
Formula: C14H9NO4
SMILES:   Oc1cc(O)c2c(c1N)C(=O)c1c(cccc1)C2=O
InChI:   InChI=1/C14H9NO4/c15-12-9(17)5-8(16)10-11(12)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,16-17H,15H2

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Potential Energy
Epot(MMFF94)=85.8792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.229 g/mol  logS: -2.88198  SlogP: 1.4554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00637969  Sterimol/B1: 2.1275  Sterimol/B2: 2.27437  Sterimol/B3: 4.46714
  Sterimol/B4: 4.7651  Sterimol/L: 12.9725 
 
 Surface and Volume Properties
  Accessible surface: 420.878  Positive charged surface: 253.751  Negative charged surface: 167.127  Volume: 219.875
  Hydrophobic surface: 230.232  Hydrophilic surface: 190.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.