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ENAMINE-ZINC02616606

 MMsINC code: MMs01252795
Type: Neutral
Formula: C19H16N2O4S
SMILES:   s1c2cc(ccc2nc1)C(OCC(=O)c1ccc(NC(=O)CC)cc1)=O
InChI:   InChI=1/C19H16N2O4S/c1-2-18(23)21-14-6-3-12(4-7-14)16(22)10-25-19(24)13-5-8-15-17(9-13)26-11-20-15/h3-9,11H,2,10H2,1H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=87.2311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.413 g/mol  logS: -4.96219  SlogP: 3.6845  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00660375  Sterimol/B1: 2.54958  Sterimol/B2: 2.60258  Sterimol/B3: 3.15516
  Sterimol/B4: 6.45739  Sterimol/L: 22.6241 
 
 Surface and Volume Properties
  Accessible surface: 639.295  Positive charged surface: 369.18  Negative charged surface: 270.114  Volume: 331.375
  Hydrophobic surface: 442.864  Hydrophilic surface: 196.431
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.