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CHEMBLOCK-ZINC00067810

 MMsINC code: MMs00493376
Type: Neutral
Formula: C9H10FN6+
SMILES:   Fc1cc(N\N=C\2/C(=NNC/2=[NH2+])N)ccc1
InChI:   InChI=1/C9H9FN6/c10-5-2-1-3-6(4-5)13-14-7-8(11)15-16-9(7)12/h1-4,13H,(H4,11,12,14,15,16)/p+1

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Potential Energy
Epot(MMFF94)=77.4839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.219 g/mol  logS: -2.81582  SlogP: -1.3734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0387959  Sterimol/B1: 2.097  Sterimol/B2: 2.43803  Sterimol/B3: 3.30316
  Sterimol/B4: 6.07768  Sterimol/L: 13.0761 
 
 Surface and Volume Properties
  Accessible surface: 414.844  Positive charged surface: 255.641  Negative charged surface: 159.202  Volume: 195
  Hydrophobic surface: 194.549  Hydrophilic surface: 220.295
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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


MMs00493377
CHEMBLOCK-ZINC00067810