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NCID-ZINC01699295

 MMsINC code: MMs02329471
Type: Neutral
Formula: C9H14FN3O3
SMILES:   FCCN(CCO)C=1C(=O)NC(=O)NC=1C
InChI:   InChI=1/C9H14FN3O3/c1-6-7(8(15)12-9(16)11-6)13(3-2-10)4-5-14/h14H,2-5H2,1H3,(H2,11,12,15,16)

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Potential Energy
Epot(MMFF94)=47.7677 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.227 g/mol  logS: -0.8038  SlogP: -0.6789  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.364711  Sterimol/B1: 2.27375  Sterimol/B2: 2.49281  Sterimol/B3: 5.37094
  Sterimol/B4: 5.41471  Sterimol/L: 11.1591 
 
 Surface and Volume Properties
  Accessible surface: 406.749  Positive charged surface: 270.781  Negative charged surface: 135.968  Volume: 202.875
  Hydrophobic surface: 178.684  Hydrophilic surface: 228.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.