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ENAMINE-ZINC05291967

 MMsINC code: MMs01607231
Type: Neutral
Formula: C14H21N3O5S
SMILES:   S1(=O)(=O)CC(NC(=O)CN2C(=O)C3(NC2=O)CCCCC3)CC1
InChI:   InChI=1/C14H21N3O5S/c18-11(15-10-4-7-23(21,22)9-10)8-17-12(19)14(16-13(17)20)5-2-1-3-6-14/h10H,1-9H2,(H,15,18)(H,16,20)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=17.8745 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.404 g/mol  logS: -2.13998  SlogP: -0.4556  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0597138  Sterimol/B1: 3.5644  Sterimol/B2: 3.6052  Sterimol/B3: 3.84547
  Sterimol/B4: 5.23154  Sterimol/L: 16.6371 
 
 Surface and Volume Properties
  Accessible surface: 553.304  Positive charged surface: 349.025  Negative charged surface: 204.279  Volume: 295.25
  Hydrophobic surface: 354.503  Hydrophilic surface: 198.801
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.