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CHEMDIV-ZINC05139373

 MMsINC code: MMs00991368
Type: Neutral
Formula: C18H11Cl2FN4O
SMILES:   Clc1cc(Cl)ccc1CN1C=Nc2n(ncc2C1=O)-c1ccc(F)cc1
InChI:   InChI=1/C18H11Cl2FN4O/c19-12-2-1-11(16(20)7-12)9-24-10-22-17-15(18(24)26)8-23-25(17)14-5-3-13(21)4-6-14/h1-8,10H,9H2

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Potential Energy
Epot(MMFF94)=76.0841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.217 g/mol  logS: -5.97837  SlogP: 4.9004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0715677  Sterimol/B1: 4.24264  Sterimol/B2: 4.33361  Sterimol/B3: 4.42507
  Sterimol/B4: 5.37516  Sterimol/L: 16.8358 
 
 Surface and Volume Properties
  Accessible surface: 572.017  Positive charged surface: 252.787  Negative charged surface: 319.23  Volume: 321.375
  Hydrophobic surface: 499.315  Hydrophilic surface: 72.702
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.