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CHEMBLOCK-ZINC01427027

 MMsINC code: MMs00521547
Type: Neutral
Formula: C18H14ClFN4O2
SMILES:   Clc1cc(ccc1)C(=O)NC(=O)Nc1n(nc(c1)C)-c1cc(F)ccc1
InChI:   InChI=1/C18H14ClFN4O2/c1-11-8-16(24(23-11)15-7-3-6-14(20)10-15)21-18(26)22-17(25)12-4-2-5-13(19)9-12/h2-10H,1H3,(H2,21,22,25,26)

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Potential Energy
Epot(MMFF94)=93.2908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.787 g/mol  logS: -5.39123  SlogP: 3.93512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0145007  Sterimol/B1: 2.21376  Sterimol/B2: 2.71638  Sterimol/B3: 2.8605
  Sterimol/B4: 10.1698  Sterimol/L: 16.0596 
 
 Surface and Volume Properties
  Accessible surface: 612.803  Positive charged surface: 275.458  Negative charged surface: 337.345  Volume: 321.375
  Hydrophobic surface: 524.998  Hydrophilic surface: 87.805
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.