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ASINEX-ZINC04016281

 MMsINC code: MMs00296605
Type: Neutral
Formula: C9H13FN4O
SMILES:   Fc1cnc(nc1NC)N1CCOCC1
InChI:   InChI=1/C9H13FN4O/c1-11-8-7(10)6-12-9(13-8)14-2-4-15-5-3-14/h6H,2-5H2,1H3,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=70.2111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.228 g/mol  logS: -1.51107  SlogP: 0.494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0587187  Sterimol/B1: 2.07014  Sterimol/B2: 2.67602  Sterimol/B3: 3.46335
  Sterimol/B4: 6.92818  Sterimol/L: 11.6962 
 
 Surface and Volume Properties
  Accessible surface: 409.516  Positive charged surface: 353.725  Negative charged surface: 55.7907  Volume: 193.5
  Hydrophobic surface: 337.916  Hydrophilic surface: 71.6
 
 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.