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ENAMINE-ZINC05442979

 MMsINC code: MMs01612855
Type: Neutral
Formula: C21H18ClFN2O2
SMILES:   Clc1cccc(F)c1-c1noc(C)c1C(=O)NC1CCCc2c1cccc2
InChI:   InChI=1/C21H18ClFN2O2/c1-12-18(20(25-27-12)19-15(22)9-5-10-16(19)23)21(26)24-17-11-4-7-13-6-2-3-8-14(13)17/h2-3,5-6,8-10,17H,4,7,11H2,1H3,(H,24,26)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.6779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.838 g/mol  logS: -6.58396  SlogP: 5.34539  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0939093  Sterimol/B1: 2.53858  Sterimol/B2: 4.09486  Sterimol/B3: 4.36264
  Sterimol/B4: 9.32832  Sterimol/L: 14.6364 
 
 Surface and Volume Properties
  Accessible surface: 597.722  Positive charged surface: 301.967  Negative charged surface: 295.755  Volume: 344.75
  Hydrophobic surface: 552.979  Hydrophilic surface: 44.743
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.