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APOLLO-ZINC02379316

 MMsINC code: MMs00051487
Type: Neutral
Formula: C7H3Cl2F7N4
SMILES:   Clc1nc(nc(Cl)n1)NCC(F)(F)C(F)(F)C(F)(F)F
InChI:   InChI=1/C7H3Cl2F7N4/c8-2-18-3(9)20-4(19-2)17-1-5(10,11)6(12,13)7(14,15)16/h1H2,(H,17,18,19,20)

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Potential Energy
Epot(MMFF94)=-12.3246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.021 g/mol  logS: -6.01013  SlogP: 4.6829  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0405065  Sterimol/B1: 2.63886  Sterimol/B2: 2.6389  Sterimol/B3: 4.33441
  Sterimol/B4: 4.82025  Sterimol/L: 14.2977 
 
 Surface and Volume Properties
  Accessible surface: 459.159  Positive charged surface: 83.9328  Negative charged surface: 375.226  Volume: 209.5
  Hydrophobic surface: 177.155  Hydrophilic surface: 282.004
 
 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.