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IFLAB-ZINC00938533

MMsINC code: MMs01980871

Type: Neutral
Formula: C19H15ClN2O4
SMILES:   ClC1=C(Nc2ccc(cc2)C(O)=O)C(=O)N(CCc2ccccc2)C1=O
InChI:   InChI=1/C19H15ClN2O4/c20-15-16(21-14-8-6-13(7-9-14)19(25)26)18(24)22(17(15)23)11-10-12-4-2-1-3-5-12/h1-9,21H,10-11H2,(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=71.0105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.792 g/mol  logS: -4.98504  SlogP: 2.96747  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0465819  Sterimol/B1: 3.03493  Sterimol/B2: 3.77991  Sterimol/B3: 4.00476
  Sterimol/B4: 8.15747  Sterimol/L: 17.1482 
 
 Surface and Volume Properties
  Accessible surface: 608.289  Positive charged surface: 299.126  Negative charged surface: 309.163  Volume: 328.25
  Hydrophobic surface: 429.707  Hydrophilic surface: 178.582
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01980872
IFLAB-ZINC00938533