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APOLLO-ZINC00040171

 MMsINC code: MMs00042157
Type: Neutral
Formula: C10H15FN4
SMILES:   Fc1nc(nc(N2CCCCCC2)c1)N
InChI:   InChI=1/C10H15FN4/c11-8-7-9(14-10(12)13-8)15-5-3-1-2-4-6-15/h7H,1-6H2,(H2,12,13,14)

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Potential Energy
Epot(MMFF94)=29.3843 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.256 g/mol  logS: -2.41119  SlogP: 1.5783  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0774913  Sterimol/B1: 2.68619  Sterimol/B2: 2.86672  Sterimol/B3: 3.57838
  Sterimol/B4: 5.83373  Sterimol/L: 11.9342 
 
 Surface and Volume Properties
  Accessible surface: 399.393  Positive charged surface: 289.957  Negative charged surface: 109.436  Volume: 198.5
  Hydrophobic surface: 267.581  Hydrophilic surface: 131.812
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.