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ENAMINE-ZINC03462525

 MMsINC code: MMs01457962
Type: Neutral
Formula: C19H17ClFN3O3
SMILES:   Clc1ccccc1C1(NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O)C
InChI:   InChI=1/C19H17ClFN3O3/c1-19(14-4-2-3-5-15(14)20)17(26)24(18(27)23-19)11-16(25)22-10-12-6-8-13(21)9-7-12/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)=65.6717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.814 g/mol  logS: -5.09934  SlogP: 3.1404  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0887549  Sterimol/B1: 2.48899  Sterimol/B2: 3.62815  Sterimol/B3: 5.14903
  Sterimol/B4: 7.19557  Sterimol/L: 17.086 
 
 Surface and Volume Properties
  Accessible surface: 618.111  Positive charged surface: 327.443  Negative charged surface: 290.668  Volume: 335.5
  Hydrophobic surface: 474.144  Hydrophilic surface: 143.967
 
 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.