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ASINEX-ZINC01381094

 MMsINC code: MMs00252949
Type: Neutral
Formula: C14H19NO3S
SMILES:   s1cccc1C(OC(C(=O)NC1CCCCC1)C)=O
InChI:   InChI=1/C14H19NO3S/c1-10(18-14(17)12-8-5-9-19-12)13(16)15-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,15,16)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=34.669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.376 g/mol  logS: -3.5442  SlogP: 2.7423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0475106  Sterimol/B1: 2.02957  Sterimol/B2: 3.13092  Sterimol/B3: 3.64514
  Sterimol/B4: 6.63115  Sterimol/L: 16.9291 
 
 Surface and Volume Properties
  Accessible surface: 535.676  Positive charged surface: 321.041  Negative charged surface: 214.635  Volume: 268.125
  Hydrophobic surface: 444.683  Hydrophilic surface: 90.993
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.