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CHEMBRIDGE-ZINC01108959

 MMsINC code: MMs00661089
Type: Neutral
Formula: C17H18ClNO5
SMILES:   Clc1cc(NC(=O)c2cc(OC)c(OC)cc2OC)c(OC)cc1
InChI:   InChI=1/C17H18ClNO5/c1-21-13-6-5-10(18)7-12(13)19-17(20)11-8-15(23-3)16(24-4)9-14(11)22-2/h5-9H,1-4H3,(H,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.942 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.786 g/mol  logS: -4.29068  SlogP: 3.6267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0284208  Sterimol/B1: 2.30059  Sterimol/B2: 4.08796  Sterimol/B3: 4.16623
  Sterimol/B4: 8.31499  Sterimol/L: 16.064 
 
 Surface and Volume Properties
  Accessible surface: 599.042  Positive charged surface: 436.381  Negative charged surface: 162.661  Volume: 315.125
  Hydrophobic surface: 544.539  Hydrophilic surface: 54.503
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.