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CHEMDIV-ZINC02938279

 MMsINC code: MMs00894259
Type: Neutral
Formula: C19H23FN2O4S
SMILES:   S(=O)(=O)(NCC1CCC(CC1)C(=O)NCc1occc1)c1ccc(F)cc1
InChI:   InChI=1/C19H23FN2O4S/c20-16-7-9-18(10-8-16)27(24,25)22-12-14-3-5-15(6-4-14)19(23)21-13-17-2-1-11-26-17/h1-2,7-11,14-15,22H,3-6,12-13H2,(H,21,23)/t14-,15+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.3837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.467 g/mol  logS: -3.99861  SlogP: 3.0862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0853576  Sterimol/B1: 3.28333  Sterimol/B2: 4.21261  Sterimol/B3: 4.43919
  Sterimol/B4: 7.06102  Sterimol/L: 19.5448 
 
 Surface and Volume Properties
  Accessible surface: 652.016  Positive charged surface: 362.056  Negative charged surface: 289.959  Volume: 353
  Hydrophobic surface: 527.459  Hydrophilic surface: 124.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.