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CHEMBRIDGE-ZINC02816656

 MMsINC code: MMs00718067
Type: Neutral
Formula: C23H28N2O2S
SMILES:   S(Cc1ccccc1C)CC(=O)Nc1ccccc1C(=O)NC1CCCCC1
InChI:   InChI=1/C23H28N2O2S/c1-17-9-5-6-10-18(17)15-28-16-22(26)25-21-14-8-7-13-20(21)23(27)24-19-11-3-2-4-12-19/h5-10,13-14,19H,2-4,11-12,15-16H2,1H3,(H,24,27)(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.8073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.555 g/mol  logS: -6.43794  SlogP: 5.19582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0472535  Sterimol/B1: 2.18361  Sterimol/B2: 4.7403  Sterimol/B3: 6.31651
  Sterimol/B4: 7.17165  Sterimol/L: 20.6119 
 
 Surface and Volume Properties
  Accessible surface: 717.255  Positive charged surface: 468.86  Negative charged surface: 248.395  Volume: 393.625
  Hydrophobic surface: 629.541  Hydrophilic surface: 87.714
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.