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NCID-ZINC01726401

 MMsINC code: MMs02350102
Type: Neutral
Formula: C20H26N2O2S
SMILES:   S(=O)(=O)(NN=C(C=1CCCCC=1)C=1CCCCC=1)c1ccc(cc1)C
InChI:   InChI=1/C20H26N2O2S/c1-16-12-14-19(15-13-16)25(23,24)22-21-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h8,10,12-15,22H,2-7,9,11H2,1H3

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Potential Energy
Epot(MMFF94)=84.7471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.506 g/mol  logS: -6.06142  SlogP: 4.63012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139774  Sterimol/B1: 2.59987  Sterimol/B2: 5.99257  Sterimol/B3: 6.18453
  Sterimol/B4: 6.47587  Sterimol/L: 15.0197 
 
 Surface and Volume Properties
  Accessible surface: 635.82  Positive charged surface: 410.866  Negative charged surface: 224.955  Volume: 352.75
  Hydrophobic surface: 550.471  Hydrophilic surface: 85.349
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.