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ENAMINE-ZINC03237385

 MMsINC code: MMs01322744
Type: Neutral
Formula: C14H13NO3S
SMILES:   s1cccc1C(OCC(=O)NCc1ccccc1)=O
InChI:   InChI=1/C14H13NO3S/c16-13(15-9-11-5-2-1-3-6-11)10-18-14(17)12-7-4-8-19-12/h1-8H,9-10H2,(H,15,16)

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Potential Energy
Epot(MMFF94)=43.0304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.328 g/mol  logS: -3.51375  SlogP: 2.4877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0387726  Sterimol/B1: 3.07482  Sterimol/B2: 3.61699  Sterimol/B3: 3.62126
  Sterimol/B4: 4.33401  Sterimol/L: 18.2201 
 
 Surface and Volume Properties
  Accessible surface: 530.209  Positive charged surface: 274.229  Negative charged surface: 255.981  Volume: 256.125
  Hydrophobic surface: 432.848  Hydrophilic surface: 97.361
 
 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.