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NCID-ZINC05722141

 MMsINC code: MMs02489085
Type: Neutral
Formula: C11H11F3N2O4
SMILES:   FC(F)(F)C1=CN(C2OC(C)C(O)C=C2)C(=O)NC1=O
InChI:   InChI=1/C11H11F3N2O4/c1-5-7(17)2-3-8(20-5)16-4-6(11(12,13)14)9(18)15-10(16)19/h2-5,7-8,17H,1H3,(H,15,18,19)/t5-,7+,8+/m0/s1

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Potential Energy
Epot(MMFF94)=14.2974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.213 g/mol  logS: -2.20234  SlogP: 1.0662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146302  Sterimol/B1: 2.06348  Sterimol/B2: 3.2773  Sterimol/B3: 3.9905
  Sterimol/B4: 7.06245  Sterimol/L: 11.1663 
 
 Surface and Volume Properties
  Accessible surface: 431.893  Positive charged surface: 210.193  Negative charged surface: 221.7  Volume: 221.875
  Hydrophobic surface: 128.749  Hydrophilic surface: 303.144
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.