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IBS-ZINC05207314

 MMsINC code: MMs01930427
Type: Neutral
Formula: C16H10FN5O3
SMILES:   Fc1ccc(cc1)C(=O)NC=1n2nc(nc2NC(=O)C=1)-c1occc1
InChI:   InChI=1/C16H10FN5O3/c17-10-5-3-9(4-6-10)15(24)18-12-8-13(23)19-16-20-14(21-22(12)16)11-2-1-7-25-11/h1-8H,(H,18,24)(H,19,20,21,23)

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Potential Energy
Epot(MMFF94)=86.6545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.286 g/mol  logS: -5.94595  SlogP: 1.8577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0510564  Sterimol/B1: 3.16721  Sterimol/B2: 3.20435  Sterimol/B3: 3.73579
  Sterimol/B4: 9.97877  Sterimol/L: 15.3384 
 
 Surface and Volume Properties
  Accessible surface: 557.854  Positive charged surface: 269.666  Negative charged surface: 288.188  Volume: 283.25
  Hydrophobic surface: 382.801  Hydrophilic surface: 175.053
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.