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CHEMDIV-ZINC05137740

 MMsINC code: MMs00991248
Type: Neutral
Formula: C16H18N2O2S
SMILES:   s1cc(NC(=O)Nc2cc(OC)ccc2)c2CCCCc12
InChI:   InChI=1/C16H18N2O2S/c1-20-12-6-4-5-11(9-12)17-16(19)18-14-10-21-15-8-3-2-7-13(14)15/h4-6,9-10H,2-3,7-8H2,1H3,(H2,17,18,19)

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Potential Energy
Epot(MMFF94)=66.3465 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.398 g/mol  logS: -4.04499  SlogP: 4.27944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0217522  Sterimol/B1: 2.77085  Sterimol/B2: 3.07814  Sterimol/B3: 3.33121
  Sterimol/B4: 6.3151  Sterimol/L: 17.0357 
 
 Surface and Volume Properties
  Accessible surface: 542.768  Positive charged surface: 369.275  Negative charged surface: 173.493  Volume: 284.75
  Hydrophobic surface: 480.901  Hydrophilic surface: 61.867
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.