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CHEMDIV-ZINC04192567

 MMsINC code: MMs00931800
Type: Neutral
Formula: C20H19ClN2O4
SMILES:   Clc1cc(N(C(=O)Cc2c3c(n(C)c2C(O)=O)cccc3)C)c(OC)cc1
InChI:   InChI=1/C20H19ClN2O4/c1-22(16-10-12(21)8-9-17(16)27-3)18(24)11-14-13-6-4-5-7-15(13)23(2)19(14)20(25)26/h4-10H,11H2,1-3H3,(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.2891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.835 g/mol  logS: -4.40125  SlogP: 4.10317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132461  Sterimol/B1: 2.98774  Sterimol/B2: 4.4047  Sterimol/B3: 5.45736
  Sterimol/B4: 7.24994  Sterimol/L: 14.4573 
 
 Surface and Volume Properties
  Accessible surface: 628.673  Positive charged surface: 394.722  Negative charged surface: 230.327  Volume: 351.625
  Hydrophobic surface: 532.258  Hydrophilic surface: 96.415
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00931801
CHEMDIV-ZINC04192567