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IFLAB-ZINC04479084

 MMsINC code: MMs02052563
Type: Neutral
Formula: C19H14ClFN4O
SMILES:   Clc1cccc(F)c1CN1C=Nc2n(ncc2C1=O)-c1ccccc1C
InChI:   InChI=1/C19H14ClFN4O/c1-12-5-2-3-8-17(12)25-18-13(9-23-25)19(26)24(11-22-18)10-14-15(20)6-4-7-16(14)21/h2-9,11H,10H2,1H3

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Potential Energy
Epot(MMFF94)=95.0113 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.799 g/mol  logS: -5.40455  SlogP: 4.55542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675432  Sterimol/B1: 3.21859  Sterimol/B2: 3.76265  Sterimol/B3: 3.79414
  Sterimol/B4: 6.69606  Sterimol/L: 15.8476 
 
 Surface and Volume Properties
  Accessible surface: 571.214  Positive charged surface: 310.047  Negative charged surface: 261.167  Volume: 323.5
  Hydrophobic surface: 506.881  Hydrophilic surface: 64.333
 
 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.