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NCID-ZINC01620060

 MMsINC code: MMs02268353
Type: Neutral
Formula: C17H13FN2O6
SMILES:   FC1=CN(C2OC(C=C(OC(=O)c3ccccc3)C2=O)C)C(=O)NC1=O
InChI:   InChI=1/C17H13FN2O6/c1-9-7-12(26-16(23)10-5-3-2-4-6-10)13(21)15(25-9)20-8-11(18)14(22)19-17(20)24/h2-9,15H,1H3,(H,19,22,24)/t9-,15-/m1/s1

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Potential Energy
Epot(MMFF94)=65.7204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.297 g/mol  logS: -4.18298  SlogP: 1.5128  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0990878  Sterimol/B1: 2.28678  Sterimol/B2: 3.64437  Sterimol/B3: 3.78922
  Sterimol/B4: 9.04815  Sterimol/L: 16.1641 
 
 Surface and Volume Properties
  Accessible surface: 578.26  Positive charged surface: 299.792  Negative charged surface: 278.468  Volume: 300
  Hydrophobic surface: 378.814  Hydrophilic surface: 199.446
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.