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ENAMINE-ZINC03531229

 MMsINC code: MMs01493838
Type: Neutral
Formula: C15H23N3O5S
SMILES:   S1(=O)(=O)CC(NC(=O)CN2C(=O)C3(NC2=O)CCCCCC3)CC1
InChI:   InChI=1/C15H23N3O5S/c19-12(16-11-5-8-24(22,23)10-11)9-18-13(20)15(17-14(18)21)6-3-1-2-4-7-15/h11H,1-10H2,(H,16,19)(H,17,21)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=33.4459 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.431 g/mol  logS: -2.6552  SlogP: -0.0655  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0665118  Sterimol/B1: 3.18918  Sterimol/B2: 3.76292  Sterimol/B3: 4.4321
  Sterimol/B4: 5.01483  Sterimol/L: 17.3479 
 
 Surface and Volume Properties
  Accessible surface: 575.386  Positive charged surface: 366.604  Negative charged surface: 208.783  Volume: 309.875
  Hydrophobic surface: 372.223  Hydrophilic surface: 203.163
 
 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.