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ASINEX-ZINC00848970

 MMsINC code: MMs00191401
Type: Neutral
Formula: C19H11ClFN3O2
SMILES:   Clc1cc(F)ccc1-c1oc2c(n1)cc(NC(=O)c1cccnc1)cc2
InChI:   InChI=1/C19H11ClFN3O2/c20-15-8-12(21)3-5-14(15)19-24-16-9-13(4-6-17(16)26-19)23-18(25)11-2-1-7-22-10-11/h1-10H,(H,23,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.767 g/mol  logS: -6.44167  SlogP: 4.9346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00758464  Sterimol/B1: 2.31212  Sterimol/B2: 2.91848  Sterimol/B3: 2.9976
  Sterimol/B4: 7.03004  Sterimol/L: 19.691 
 
 Surface and Volume Properties
  Accessible surface: 589.164  Positive charged surface: 316.895  Negative charged surface: 272.269  Volume: 314.125
  Hydrophobic surface: 505.908  Hydrophilic surface: 83.256
 
 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.