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CHEMDIV-ZINC00226417

 MMsINC code: MMs00844551
Type: Neutral
Formula: C15H9NO3
SMILES:   O1C2N(c3c(cccc3)C1=O)C(=O)c1c2cccc1
InChI:   InChI=1/C15H9NO3/c17-13-9-5-1-2-6-10(9)14-16(13)12-8-4-3-7-11(12)15(18)19-14/h1-8,14H/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=64.2741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.241 g/mol  logS: -3.78258  SlogP: 2.6115  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0178544  Sterimol/B1: 2.33309  Sterimol/B2: 3.14521  Sterimol/B3: 4.29638
  Sterimol/B4: 4.95191  Sterimol/L: 13.6981 
 
 Surface and Volume Properties
  Accessible surface: 433.853  Positive charged surface: 220.453  Negative charged surface: 213.4  Volume: 224.25
  Hydrophobic surface: 338.926  Hydrophilic surface: 94.927
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.