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CHEMSTAR-ZINC04156264

 MMsINC code: MMs01109495
Type: Neutral
Formula: C15H13FN2O4
SMILES:   Fc1ccccc1C(=O)N\N=C(\C)/C=1C(OC(=CC=1O)C)=O
InChI:   InChI=1/C15H13FN2O4/c1-8-7-12(19)13(15(21)22-8)9(2)17-18-14(20)10-5-3-4-6-11(10)16/h3-7,19H,1-2H3,(H,18,20)/b17-9+

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Potential Energy
Epot(MMFF94)=94.6991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.277 g/mol  logS: -4.01683  SlogP: 2.2041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0494893  Sterimol/B1: 3.58269  Sterimol/B2: 3.88056  Sterimol/B3: 4.53057
  Sterimol/B4: 4.97251  Sterimol/L: 17.425 
 
 Surface and Volume Properties
  Accessible surface: 537.981  Positive charged surface: 281.413  Negative charged surface: 256.567  Volume: 267.375
  Hydrophobic surface: 386.887  Hydrophilic surface: 151.094
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.