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CHEMBRIDGE-ZINC04810688

 MMsINC code: MMs00789245
Type: Neutral
Formula: C20H18N2O2S
SMILES:   S=C(Nc1c2c(ccc1)c(O)ccc2)NC(=O)c1cc(C)c(cc1)C
InChI:   InChI=1/C20H18N2O2S/c1-12-9-10-14(11-13(12)2)19(24)22-20(25)21-17-7-3-6-16-15(17)5-4-8-18(16)23/h3-11,23H,1-2H3,(H2,21,22,24,25)

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Potential Energy
Epot(MMFF94)=153.86 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.442 g/mol  logS: -7.28213  SlogP: 4.28904  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0219405  Sterimol/B1: 2.58468  Sterimol/B2: 3.59487  Sterimol/B3: 3.65213
  Sterimol/B4: 6.21796  Sterimol/L: 18.5207 
 
 Surface and Volume Properties
  Accessible surface: 607.377  Positive charged surface: 325.26  Negative charged surface: 270.177  Volume: 331.875
  Hydrophobic surface: 460.959  Hydrophilic surface: 146.418
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.