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NCID-ZINC01595562

 MMsINC code: MMs02249842
Type: Neutral
Formula: C24H25NO2S
SMILES:   S(=O)(=O)(N1C(CCCC1c1ccccc1)c1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C24H25NO2S/c1-19-15-17-22(18-16-19)28(26,27)25-23(20-9-4-2-5-10-20)13-8-14-24(25)21-11-6-3-7-12-21/h2-7,9-12,15-18,23-24H,8,13-14H2,1H3/t23-,24+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1383.84 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.535 g/mol  logS: -6.06231  SlogP: 5.84322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.247861  Sterimol/B1: 2.33046  Sterimol/B2: 3.10657  Sterimol/B3: 5.60395
  Sterimol/B4: 10.1368  Sterimol/L: 14.4322 
 
 Surface and Volume Properties
  Accessible surface: 566.199  Positive charged surface: 344.086  Negative charged surface: 222.114  Volume: 358.75
  Hydrophobic surface: 530.4  Hydrophilic surface: 35.799
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.