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ENAMINE-ZINC01032529

 MMsINC code: MMs01237572
Type: Neutral
Formula: C20H16N2O2S2
SMILES:   s1c2cc(ccc2nc1-c1ccc(NS(=O)(=O)c2ccccc2)cc1)C
InChI:   InChI=1/C20H16N2O2S2/c1-14-7-12-18-19(13-14)25-20(21-18)15-8-10-16(11-9-15)22-26(23,24)17-5-3-2-4-6-17/h2-13,22H,1H3

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Potential Energy
Epot(MMFF94)=66.1731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.492 g/mol  logS: -6.89141  SlogP: 5.07252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.07834  Sterimol/B1: 3.14456  Sterimol/B2: 4.80635  Sterimol/B3: 4.80888
  Sterimol/B4: 4.83628  Sterimol/L: 17.7475 
 
 Surface and Volume Properties
  Accessible surface: 620.363  Positive charged surface: 313.349  Negative charged surface: 307.014  Volume: 341.75
  Hydrophobic surface: 514.715  Hydrophilic surface: 105.648
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.