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IBS-ZINC01874039

 MMsINC code: MMs01779413
Type: Neutral
Formula: C19H20N2O2S
SMILES:   s1cccc1C(=O)N(Cc1cc2c(nc1O)cccc2)CCCC
InChI:   InChI=1/C19H20N2O2S/c1-2-3-10-21(19(23)17-9-6-11-24-17)13-15-12-14-7-4-5-8-16(14)20-18(15)22/h4-9,11-12H,2-3,10,13H2,1H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=109.614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.447 g/mol  logS: -4.58164  SlogP: 4.7108  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107687  Sterimol/B1: 2.27969  Sterimol/B2: 3.8156  Sterimol/B3: 4.13795
  Sterimol/B4: 8.75638  Sterimol/L: 15.1539 
 
 Surface and Volume Properties
  Accessible surface: 574.924  Positive charged surface: 345.892  Negative charged surface: 223.65  Volume: 326.625
  Hydrophobic surface: 459.527  Hydrophilic surface: 115.397
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.