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PUBCHEM-ZINC04378748

 MMsINC code: MMs03117787
Type: Neutral
Formula: C20H29FN2O2S
SMILES:   S1CC(N(C(=O)c2ccccc2F)C1CC(C)C)C(=O)NCCCCC
InChI:   InChI=1/C20H29FN2O2S/c1-4-5-8-11-22-19(24)17-13-26-18(12-14(2)3)23(17)20(25)15-9-6-7-10-16(15)21/h6-7,9-10,14,17-18H,4-5,8,11-13H2,1-3H3,(H,22,24)/t17-,18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=249.024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.528 g/mol  logS: -6.03286  SlogP: 4.0619  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.04722  Sterimol/B1: 3.77088  Sterimol/B2: 4.03792  Sterimol/B3: 5.63171
  Sterimol/B4: 5.9281  Sterimol/L: 18.6531 
 
 Surface and Volume Properties
  Accessible surface: 643.638  Positive charged surface: 431.894  Negative charged surface: 211.743  Volume: 366.875
  Hydrophobic surface: 504.081  Hydrophilic surface: 139.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.