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ENAMINE-ZINC04836375

 MMsINC code: MMs01556028
Type: Neutral
Formula: C19H20ClN3O5
SMILES:   Clc1ccccc1-c1noc(C)c1C(OCC(=O)NC(=O)NC1CCCC1)=O
InChI:   InChI=1/C19H20ClN3O5/c1-11-16(17(23-28-11)13-8-4-5-9-14(13)20)18(25)27-10-15(24)22-19(26)21-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H2,21,22,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.282 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.838 g/mol  logS: -5.21284  SlogP: 3.22862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0523393  Sterimol/B1: 2.21066  Sterimol/B2: 3.92187  Sterimol/B3: 4.76805
  Sterimol/B4: 10.3427  Sterimol/L: 17.6858 
 
 Surface and Volume Properties
  Accessible surface: 687.264  Positive charged surface: 384.844  Negative charged surface: 302.42  Volume: 357.5
  Hydrophobic surface: 541.728  Hydrophilic surface: 145.536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.