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ASINEX-ZINC00176834

 MMsINC code: MMs00085196
Type: Neutral
Formula: C18H12FNO4
SMILES:   Fc1ccc(cc1)C=1OC(=O)/C(/N=1)=C\c1ccc(cc1)C(OC)=O
InChI:   InChI=1/C18H12FNO4/c1-23-17(21)13-4-2-11(3-5-13)10-15-18(22)24-16(20-15)12-6-8-14(19)9-7-12/h2-10H,1H3/b15-10+

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Potential Energy
Epot(MMFF94)=97.5329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.295 g/mol  logS: -5.73372  SlogP: 2.9568  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0125775  Sterimol/B1: 2.46243  Sterimol/B2: 2.48653  Sterimol/B3: 2.83687
  Sterimol/B4: 6.15797  Sterimol/L: 19.3378 
 
 Surface and Volume Properties
  Accessible surface: 567.975  Positive charged surface: 325.271  Negative charged surface: 242.704  Volume: 288.875
  Hydrophobic surface: 460.667  Hydrophilic surface: 107.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.