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ASINEX-ZINC00847212

 MMsINC code: MMs00190874
Type: Neutral
Formula: C20H14ClN3O3
SMILES:   Clc1cc(C(=O)Nc2cc3nc(oc3cc2)-c2cccnc2)c(OC)cc1
InChI:   InChI=1/C20H14ClN3O3/c1-26-17-6-4-13(21)9-15(17)19(25)23-14-5-7-18-16(10-14)24-20(27-18)12-3-2-8-22-11-12/h2-11H,1H3,(H,23,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.07 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.803 g/mol  logS: -6.19707  SlogP: 4.8041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0157158  Sterimol/B1: 2.22217  Sterimol/B2: 2.28535  Sterimol/B3: 4.13357
  Sterimol/B4: 8.36817  Sterimol/L: 19.2154 
 
 Surface and Volume Properties
  Accessible surface: 632.498  Positive charged surface: 384.751  Negative charged surface: 247.747  Volume: 335.125
  Hydrophobic surface: 541.992  Hydrophilic surface: 90.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.