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OTAVA-ZINC00387228

 MMsINC code: MMs02555077
Type: Neutral
Formula: C14H20N2O4S
SMILES:   S(=O)(=O)(NCC(=O)N1CCCCC1)c1cc(OC)ccc1
InChI:   InChI=1/C14H20N2O4S/c1-20-12-6-5-7-13(10-12)21(18,19)15-11-14(17)16-8-3-2-4-9-16/h5-7,10,15H,2-4,8-9,11H2,1H3

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Potential Energy
Epot(MMFF94)=31.5669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.39 g/mol  logS: -2.09397  SlogP: 0.986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0843435  Sterimol/B1: 2.39546  Sterimol/B2: 3.73406  Sterimol/B3: 4.22444
  Sterimol/B4: 8.66935  Sterimol/L: 14.4323 
 
 Surface and Volume Properties
  Accessible surface: 542.995  Positive charged surface: 369.899  Negative charged surface: 173.096  Volume: 285.875
  Hydrophobic surface: 416.672  Hydrophilic surface: 126.323
 
 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.