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NCID-ZINC01595818

 MMsINC code: MMs02250030
Type: Neutral
Formula: C15H16N2O3S
SMILES:   S(=O)(=O)(NNC(=C)c1ccccc1O)c1ccc(cc1)C
InChI:   InChI=1/C15H16N2O3S/c1-11-7-9-13(10-8-11)21(19,20)17-16-12(2)14-5-3-4-6-15(14)18/h3-10,16-18H,2H2,1H3

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Potential Energy
Epot(MMFF94)=87.9868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.37 g/mol  logS: -3.64444  SlogP: 2.15442  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0883952  Sterimol/B1: 2.53998  Sterimol/B2: 2.75359  Sterimol/B3: 4.50825
  Sterimol/B4: 7.49548  Sterimol/L: 14.5444 
 
 Surface and Volume Properties
  Accessible surface: 526.845  Positive charged surface: 284.108  Negative charged surface: 242.737  Volume: 281.5
  Hydrophobic surface: 383.51  Hydrophilic surface: 143.335
 
 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.