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CHEMBRIDGE-ZINC02991554

MMsINC code: MMs00747300

Type: Neutral
Formula: C24H25NOS
SMILES:   S(C(C(=O)NC(CCc1ccccc1)C)c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H25NOS/c1-19(17-18-20-11-5-2-6-12-20)25-24(26)23(21-13-7-3-8-14-21)27-22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3,(H,25,26)/t19-,23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=107.944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.536 g/mol  logS: -6.7051  SlogP: 5.75297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0956903  Sterimol/B1: 2.04225  Sterimol/B2: 3.46386  Sterimol/B3: 5.50301
  Sterimol/B4: 9.18588  Sterimol/L: 18.559 
 
 Surface and Volume Properties
  Accessible surface: 677.061  Positive charged surface: 383.452  Negative charged surface: 293.609  Volume: 387.875
  Hydrophobic surface: 604.273  Hydrophilic surface: 72.788
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.