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MAYBRIDGE-ZINC04377436

 MMsINC code: MMs02172699
Type: Neutral
Formula: C21H14Cl2N2O3
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C=1OC(=O)/C(/N=1)=C\c1ccc(cc1)C
InChI:   InChI=1/C21H14Cl2N2O3/c1-11-6-8-13(9-7-11)10-16-21(26)27-20(24-16)17-12(2)28-25-19(17)18-14(22)4-3-5-15(18)23/h3-10H,1-2H3/b16-10+

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Potential Energy
Epot(MMFF94)=116.532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.26 g/mol  logS: -8.35443  SlogP: 5.60974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0734006  Sterimol/B1: 3.92697  Sterimol/B2: 4.72355  Sterimol/B3: 5.66191
  Sterimol/B4: 6.74988  Sterimol/L: 16.6141 
 
 Surface and Volume Properties
  Accessible surface: 640.807  Positive charged surface: 283.649  Negative charged surface: 357.158  Volume: 356.375
  Hydrophobic surface: 575.061  Hydrophilic surface: 65.746
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.