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NANOSIN-ZINC00212660

 MMsINC code: MMs02190802
Type: Neutral
Formula: C8H11FN4O
SMILES:   Fc1cnc(nc1N)N1CCOCC1
InChI:   InChI=1/C8H11FN4O/c9-6-5-11-8(12-7(6)10)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=66.2804 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.201 g/mol  logS: -1.43549  SlogP: 0.0345  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0548402  Sterimol/B1: 2.49127  Sterimol/B2: 2.72415  Sterimol/B3: 3.24676
  Sterimol/B4: 5.49091  Sterimol/L: 11.2204 
 
 Surface and Volume Properties
  Accessible surface: 378.967  Positive charged surface: 312.253  Negative charged surface: 66.7141  Volume: 173.5
  Hydrophobic surface: 260.865  Hydrophilic surface: 118.102
 
 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.