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ASINEX-ZINC03263808

 MMsINC code: MMs00288430
Type: Neutral
Formula: C10H10FN3
SMILES:   Fc1ccc(-n2nc(cc2N)C)cc1
InChI:   InChI=1/C10H10FN3/c1-7-6-10(12)14(13-7)9-4-2-8(11)3-5-9/h2-6H,12H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.1387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 191.209 g/mol  logS: -2.1793  SlogP: 1.90202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0367213  Sterimol/B1: 2.52783  Sterimol/B2: 2.7998  Sterimol/B3: 2.81918
  Sterimol/B4: 5.62599  Sterimol/L: 12.6763 
 
 Surface and Volume Properties
  Accessible surface: 385.278  Positive charged surface: 206.713  Negative charged surface: 178.565  Volume: 180.625
  Hydrophobic surface: 325.432  Hydrophilic surface: 59.846
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.