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CHEMBRIDGE-ZINC04954847

 MMsINC code: MMs00814759
Type: Neutral
Formula: C18H19ClN2O5
SMILES:   Clc1cc(C)c(OCC(O\N=C(/N)\c2cc(OC)c(OC)cc2)=O)cc1
InChI:   InChI=1/C18H19ClN2O5/c1-11-8-13(19)5-7-14(11)25-10-17(22)26-21-18(20)12-4-6-15(23-2)16(9-12)24-3/h4-9H,10H2,1-3H3,(H2,20,21)

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Potential Energy
Epot(MMFF94)=134.621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.812 g/mol  logS: -5.00057  SlogP: 2.90812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00493817  Sterimol/B1: 2.37884  Sterimol/B2: 2.4597  Sterimol/B3: 2.51204
  Sterimol/B4: 7.07523  Sterimol/L: 20.8246 
 
 Surface and Volume Properties
  Accessible surface: 664.557  Positive charged surface: 427.076  Negative charged surface: 237.481  Volume: 338.875
  Hydrophobic surface: 538.153  Hydrophilic surface: 126.404
 
 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.