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CHEMDIV-ZINC04101726

 MMsINC code: MMs00926354
Type: Neutral
Formula: C19H17ClN2O4
SMILES:   Clc1ccc(cc1)CNC(=O)c1noc(c1)-c1cc(OC)c(OC)cc1
InChI:   InChI=1/C19H17ClN2O4/c1-24-16-8-5-13(9-18(16)25-2)17-10-15(22-26-17)19(23)21-11-12-3-6-14(20)7-4-12/h3-10H,11H2,1-2H3,(H,21,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.5975 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.808 g/mol  logS: -5.32841  SlogP: 4.2086  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0238881  Sterimol/B1: 3.01629  Sterimol/B2: 3.61927  Sterimol/B3: 3.61932
  Sterimol/B4: 7.19944  Sterimol/L: 21.3075 
 
 Surface and Volume Properties
  Accessible surface: 649.637  Positive charged surface: 384.705  Negative charged surface: 264.932  Volume: 335.625
  Hydrophobic surface: 546.46  Hydrophilic surface: 103.177
 
 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.