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NCID-ZINC05758498

 MMsINC code: MMs02494740
Type: Neutral
Formula: C5H6BrFN2O3
SMILES:   BrC1(F)C(OC)NC(=O)NC1=O
InChI:   InChI=1/C5H6BrFN2O3/c1-12-3-5(6,7)2(10)8-4(11)9-3/h3H,1H3,(H2,8,9,10,11)/t3-,5-/m0/s1

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Potential Energy
Epot(MMFF94)=0.580031 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.016 g/mol  logS: -1.63703  SlogP: 0.2789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.271365  Sterimol/B1: 2.62069  Sterimol/B2: 4.07081  Sterimol/B3: 4.36877
  Sterimol/B4: 4.71486  Sterimol/L: 8.78304 
 
 Surface and Volume Properties
  Accessible surface: 343.685  Positive charged surface: 157.89  Negative charged surface: 185.795  Volume: 153.25
  Hydrophobic surface: 94.8362  Hydrophilic surface: 248.8488
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.