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ASINEX-ZINC00300748

 MMsINC code: MMs00113824
Type: Neutral
Formula: C15H12FN5O
SMILES:   Fc1ccccc1-c1nn(nn1)CC(=O)Nc1ccccc1
InChI:   InChI=1/C15H12FN5O/c16-13-9-5-4-8-12(13)15-18-20-21(19-15)10-14(22)17-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,22)

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Potential Energy
Epot(MMFF94)=71.9311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.293 g/mol  logS: -4.20654  SlogP: 2.3843  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0787845  Sterimol/B1: 2.24276  Sterimol/B2: 3.43881  Sterimol/B3: 4.28113
  Sterimol/B4: 6.10485  Sterimol/L: 16.7913 
 
 Surface and Volume Properties
  Accessible surface: 536.597  Positive charged surface: 285.558  Negative charged surface: 251.039  Volume: 266.5
  Hydrophobic surface: 431.833  Hydrophilic surface: 104.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.