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ENAMINE-ZINC03593656

 MMsINC code: MMs01519490
Type: Neutral
Formula: C19H17Cl2N3O3
SMILES:   Clc1ccccc1C1(NC(=O)N(CC(=O)Nc2cc(Cl)ccc2C)C1=O)C
InChI:   InChI=1/C19H17Cl2N3O3/c1-11-7-8-12(20)9-15(11)22-16(25)10-24-17(26)19(2,23-18(24)27)13-5-3-4-6-14(13)21/h3-9H,10H2,1-2H3,(H,22,25)(H,23,27)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.8963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.269 g/mol  logS: -5.75508  SlogP: 4.01902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.073068  Sterimol/B1: 1.969  Sterimol/B2: 4.47987  Sterimol/B3: 4.63086
  Sterimol/B4: 8.05234  Sterimol/L: 17.55 
 
 Surface and Volume Properties
  Accessible surface: 618.684  Positive charged surface: 298.831  Negative charged surface: 319.853  Volume: 346.875
  Hydrophobic surface: 497.398  Hydrophilic surface: 121.286
 
 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.