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CHEMDIV-ZINC05067849

 MMsINC code: MMs00986728
Type: Neutral
Formula: C21H20ClFN2O3
SMILES:   Clc1cc(F)ccc1CNC(=O)CCCOC1=CC(=O)N(c2c1cccc2)C
InChI:   InChI=1/C21H20ClFN2O3/c1-25-18-6-3-2-5-16(18)19(12-21(25)27)28-10-4-7-20(26)24-13-14-8-9-15(23)11-17(14)22/h2-3,5-6,8-9,11-12H,4,7,10,13H2,1H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.0537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.853 g/mol  logS: -5.24904  SlogP: 4.176  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.021528  Sterimol/B1: 2.83503  Sterimol/B2: 3.43754  Sterimol/B3: 4.78324
  Sterimol/B4: 7.48316  Sterimol/L: 20.8488 
 
 Surface and Volume Properties
  Accessible surface: 674.623  Positive charged surface: 390.791  Negative charged surface: 283.832  Volume: 363
  Hydrophobic surface: 581.357  Hydrophilic surface: 93.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.