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PUBCHEM-ZINC00608008

 MMsINC code: MMs02711697
Type: Neutral
Formula: C19H17ClN2O4
SMILES:   Clc1ccc(cc1)C(=O)n1c2c(cc(OC)cc2)c(CC(=O)NO)c1C
InChI:   InChI=1/C19H17ClN2O4/c1-11-15(10-18(23)21-25)16-9-14(26-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9,25H,10H2,1-2H3,(H,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.033 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.808 g/mol  logS: -4.93904  SlogP: 3.34809  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114236  Sterimol/B1: 2.92374  Sterimol/B2: 3.98136  Sterimol/B3: 4.49609
  Sterimol/B4: 9.8205  Sterimol/L: 15.8612 
 
 Surface and Volume Properties
  Accessible surface: 615.003  Positive charged surface: 330.287  Negative charged surface: 281.957  Volume: 333.75
  Hydrophobic surface: 457.51  Hydrophilic surface: 157.493
 
 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: no related molecules available.