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ENAMINE-ZINC03519348

 MMsINC code: MMs01487958
Type: Neutral
Formula: C19H17Cl2N3O3
SMILES:   Clc1ccccc1C1(NC(=O)N(CC(=O)NCc2cc(Cl)ccc2)C1=O)C
InChI:   InChI=1/C19H17Cl2N3O3/c1-19(14-7-2-3-8-15(14)21)17(26)24(18(27)23-19)11-16(25)22-10-12-5-4-6-13(20)9-12/h2-9H,10-11H2,1H3,(H,22,25)(H,23,27)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.7609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.269 g/mol  logS: -5.53865  SlogP: 3.6547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0903477  Sterimol/B1: 2.48778  Sterimol/B2: 3.57924  Sterimol/B3: 5.236
  Sterimol/B4: 7.15489  Sterimol/L: 16.8478 
 
 Surface and Volume Properties
  Accessible surface: 638.679  Positive charged surface: 316.843  Negative charged surface: 321.836  Volume: 350.25
  Hydrophobic surface: 494.711  Hydrophilic surface: 143.968
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.