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CHEMBLOCK-ZINC00064150

 MMsINC code: MMs00493026
Type: Neutral
Formula: C16H18N2O2S
SMILES:   S(=O)(=O)(N\N=C\c1ccc(cc1C)C)c1ccc(cc1)C
InChI:   InChI=1/C16H18N2O2S/c1-12-5-8-16(9-6-12)21(19,20)18-17-11-15-7-4-13(2)10-14(15)3/h4-11,18H,1-3H3/b17-11+

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Potential Energy
Epot(MMFF94)=99.832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.398 g/mol  logS: -4.9344  SlogP: 2.92426  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0829076  Sterimol/B1: 2.29249  Sterimol/B2: 2.55287  Sterimol/B3: 4.96452
  Sterimol/B4: 8.0672  Sterimol/L: 15.0384 
 
 Surface and Volume Properties
  Accessible surface: 541.961  Positive charged surface: 308.321  Negative charged surface: 233.64  Volume: 288.75
  Hydrophobic surface: 434.617  Hydrophilic surface: 107.344
 
 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.