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ASINEX-ZINC00811882

 MMsINC code: MMs00175729
Type: Neutral
Formula: C20H16N2O3S
SMILES:   s1cccc1CNC(=O)Cn1cc(c2c1cccc2)C(=O)c1occc1
InChI:   InChI=1/C20H16N2O3S/c23-19(21-11-14-5-4-10-26-14)13-22-12-16(15-6-1-2-7-17(15)22)20(24)18-8-3-9-25-18/h1-10,12H,11,13H2,(H,21,23)

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Potential Energy
Epot(MMFF94)=66.7931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.425 g/mol  logS: -5.14031  SlogP: 4.376  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300621  Sterimol/B1: 2.50394  Sterimol/B2: 2.92003  Sterimol/B3: 3.53507
  Sterimol/B4: 10.3622  Sterimol/L: 17.5473 
 
 Surface and Volume Properties
  Accessible surface: 631.834  Positive charged surface: 313.394  Negative charged surface: 312.596  Volume: 336.5
  Hydrophobic surface: 542.553  Hydrophilic surface: 89.281
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.