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CHEMBRIDGE-ZINC04919456

 MMsINC code: MMs00811783
Type: Neutral
Formula: C19H14ClN3O5
SMILES:   Clc1ccc(N\C=C/2\C(=O)N(c3ccc(cc3)C)C(=O)NC\2=O)cc1C(O)=O
InChI:   InChI=1/C19H14ClN3O5/c1-10-2-5-12(6-3-10)23-17(25)14(16(24)22-19(23)28)9-21-11-4-7-15(20)13(8-11)18(26)27/h2-9,21H,1H3,(H,26,27)(H,22,24,28)/b14-9-

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Potential Energy
Epot(MMFF94)=80.5771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.79 g/mol  logS: -5.29623  SlogP: 2.92542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.029075  Sterimol/B1: 3.29696  Sterimol/B2: 3.4049  Sterimol/B3: 3.59215
  Sterimol/B4: 8.77114  Sterimol/L: 18.2783 
 
 Surface and Volume Properties
  Accessible surface: 618.345  Positive charged surface: 304.839  Negative charged surface: 313.506  Volume: 336.125
  Hydrophobic surface: 390.71  Hydrophilic surface: 227.635
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00811784
CHEMBRIDGE-ZINC04919456