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ENAMINE-ZINC03214980

 MMsINC code: MMs01309241
Type: Neutral
Formula: C11H16N4
SMILES:   n1c(cc(nc1NNC=1CCCC=1)C)C
InChI:   InChI=1/C11H16N4/c1-8-7-9(2)13-11(12-8)15-14-10-5-3-4-6-10/h5,7,14H,3-4,6H2,1-2H3,(H,12,13,15)

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Potential Energy
Epot(MMFF94)=26.3451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.277 g/mol  logS: -1.51426  SlogP: 2.07774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0210201  Sterimol/B1: 2.08394  Sterimol/B2: 2.59346  Sterimol/B3: 2.87025
  Sterimol/B4: 7.24843  Sterimol/L: 13.9366 
 
 Surface and Volume Properties
  Accessible surface: 458.57  Positive charged surface: 319.184  Negative charged surface: 139.386  Volume: 213.25
  Hydrophobic surface: 380.831  Hydrophilic surface: 77.739
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.