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NCID-ZINC04809285

 MMsINC code: MMs02409313
Type: Neutral
Formula: C20H18N2O3S
SMILES:   S(=O)(=O)(Nc1ccccc1\N=C\c1ccccc1O)c1ccc(cc1)C
InChI:   InChI=1/C20H18N2O3S/c1-15-10-12-17(13-11-15)26(24,25)22-19-8-4-3-7-18(19)21-14-16-6-2-5-9-20(16)23/h2-14,22-23H,1H3/b21-14+

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Potential Energy
Epot(MMFF94)=86.1736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.441 g/mol  logS: -5.08343  SlogP: 4.25202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139845  Sterimol/B1: 2.28814  Sterimol/B2: 2.60963  Sterimol/B3: 7.11012
  Sterimol/B4: 8.30697  Sterimol/L: 16.0235 
 
 Surface and Volume Properties
  Accessible surface: 605.413  Positive charged surface: 338.109  Negative charged surface: 267.304  Volume: 338.75
  Hydrophobic surface: 493.969  Hydrophilic surface: 111.444
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.