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PUBCHEM-ZINC05356676

 MMsINC code: MMs03247230
Type: Neutral
Formula: C5H6F2N2O2
SMILES:   FC1(C)C(=O)NC(=O)NC1F
InChI:   InChI=1/C5H6F2N2O2/c1-5(7)2(6)8-4(11)9-3(5)10/h2H,1H3,(H2,8,9,10,11)/t2-,5+/m1/s1

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Potential Energy
Epot(MMFF94)=-17.0335 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.111 g/mol  logS: -0.9958  SlogP: 0.6894  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.377113  Sterimol/B1: 2.2363  Sterimol/B2: 3.81623  Sterimol/B3: 3.99344
  Sterimol/B4: 4.2431  Sterimol/L: 8.3512 
 
 Surface and Volume Properties
  Accessible surface: 292.076  Positive charged surface: 143.122  Negative charged surface: 148.954  Volume: 119
  Hydrophobic surface: 64.9064  Hydrophilic surface: 227.1696
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.