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PUBCHEM-ZINC02029356

 MMsINC code: MMs02858509
Type: Neutral
Formula: C19H23NO2S
SMILES:   S(=O)(=O)(CCN(C)C)C1c2c(CCc3c1cccc3)cccc2
InChI:   InChI=1/C19H23NO2S/c1-20(2)13-14-23(21,22)19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10,19H,11-14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.464 g/mol  logS: -3.9812  SlogP: 2.94644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.282023  Sterimol/B1: 3.0147  Sterimol/B2: 5.10788  Sterimol/B3: 5.6402
  Sterimol/B4: 6.33362  Sterimol/L: 12.6533 
 
 Surface and Volume Properties
  Accessible surface: 543.842  Positive charged surface: 369.413  Negative charged surface: 174.429  Volume: 318.875
  Hydrophobic surface: 497.733  Hydrophilic surface: 46.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02858510
PUBCHEM-ZINC02029356