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CHEMDIV-ZINC04920641

 MMsINC code: MMs00967614
Type: Neutral
Formula: C19H17ClN2O3
SMILES:   Clc1cc2c([nH]c(C(O)=O)c2CC(=O)Nc2cc(ccc2)CC)cc1
InChI:   InChI=1/C19H17ClN2O3/c1-2-11-4-3-5-13(8-11)21-17(23)10-15-14-9-12(20)6-7-16(14)22-18(15)19(24)25/h3-9,22H,2,10H2,1H3,(H,21,23)(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.1246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.809 g/mol  logS: -5.55199  SlogP: 4.26304  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0772475  Sterimol/B1: 2.95979  Sterimol/B2: 4.93531  Sterimol/B3: 6.34178
  Sterimol/B4: 6.48433  Sterimol/L: 16.8029 
 
 Surface and Volume Properties
  Accessible surface: 615.686  Positive charged surface: 330.811  Negative charged surface: 280.865  Volume: 323.25
  Hydrophobic surface: 444.001  Hydrophilic surface: 171.685
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00967615
CHEMDIV-ZINC04920641