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IBS-ZINC02413364

 MMsINC code: MMs01855970
Type: Neutral
Formula: C19H14N2O2S2
SMILES:   S1\C(=C/c2c3c(n(c2)C)cccc3)\C(=O)N(c2ccc(O)cc2)C1=S
InChI:   InChI=1/C19H14N2O2S2/c1-20-11-12(15-4-2-3-5-16(15)20)10-17-18(23)21(19(24)25-17)13-6-8-14(22)9-7-13/h2-11,22H,1H3/b17-10-

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Potential Energy
Epot(MMFF94)=105.138 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.465 g/mol  logS: -5.88377  SlogP: 4.6489  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314059  Sterimol/B1: 2.71662  Sterimol/B2: 3.51859  Sterimol/B3: 3.60662
  Sterimol/B4: 7.7295  Sterimol/L: 18.4454 
 
 Surface and Volume Properties
  Accessible surface: 593.352  Positive charged surface: 295.872  Negative charged surface: 292.305  Volume: 328.25
  Hydrophobic surface: 401.006  Hydrophilic surface: 192.346
 
 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.