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NANOSIN-ZINC01517170

 MMsINC code: MMs02198913
Type: Neutral
Formula: C17H10F3N5O2
SMILES:   FC(F)(F)C=1n2ncc(c2N=C(C=1)c1occc1)C(=O)Nc1cccnc1
InChI:   InChI=1/C17H10F3N5O2/c18-17(19,20)14-7-12(13-4-2-6-27-13)24-15-11(9-22-25(14)15)16(26)23-10-3-1-5-21-8-10/h1-9H,(H,23,26)

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Potential Energy
Epot(MMFF94)=86.738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.294 g/mol  logS: -4.51635  SlogP: 4.0809  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0161219  Sterimol/B1: 2.23328  Sterimol/B2: 3.42217  Sterimol/B3: 4.73189
  Sterimol/B4: 7.28552  Sterimol/L: 15.9384 
 
 Surface and Volume Properties
  Accessible surface: 580.286  Positive charged surface: 289.442  Negative charged surface: 290.844  Volume: 301.75
  Hydrophobic surface: 397.544  Hydrophilic surface: 182.742
 
 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.