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NCID-ZINC01659833

 MMsINC code: MMs02297350
Type: Neutral
Formula: C12H17FN4O3
SMILES:   FC1=CN(CC(=O)N(CC)CC)C(=O)N=C1NC(=O)C
InChI:   InChI=1/C12H17FN4O3/c1-4-16(5-2)10(19)7-17-6-9(13)11(14-8(3)18)15-12(17)20/h6H,4-5,7H2,1-3H3,(H,14,15,18,20)

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Potential Energy
Epot(MMFF94)=40.2487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.291 g/mol  logS: -1.90674  SlogP: 0.7448  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0720571  Sterimol/B1: 2.09552  Sterimol/B2: 3.02264  Sterimol/B3: 4.1449
  Sterimol/B4: 6.61639  Sterimol/L: 15.0383 
 
 Surface and Volume Properties
  Accessible surface: 510.189  Positive charged surface: 319.784  Negative charged surface: 190.405  Volume: 256.625
  Hydrophobic surface: 332.838  Hydrophilic surface: 177.351
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.