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NCID-ZINC01669252

 MMsINC code: MMs02305377
Type: Neutral
Formula: C10H15FN4O2
SMILES:   FC1=CN(CC(=O)N(CC)CC)C(=O)N=C1N
InChI:   InChI=1/C10H15FN4O2/c1-3-14(4-2)8(16)6-15-5-7(11)9(12)13-10(15)17/h5H,3-4,6H2,1-2H3,(H2,12,13,17)

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Potential Energy
Epot(MMFF94)=27.5244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.254 g/mol  logS: -1.61806  SlogP: 0.5674  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0933488  Sterimol/B1: 2.15941  Sterimol/B2: 3.21346  Sterimol/B3: 3.45746
  Sterimol/B4: 6.68094  Sterimol/L: 12.7618 
 
 Surface and Volume Properties
  Accessible surface: 445.481  Positive charged surface: 287.142  Negative charged surface: 158.34  Volume: 218.875
  Hydrophobic surface: 244.121  Hydrophilic surface: 201.36
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.