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ENAMINE-ZINC03621507

 MMsINC code: MMs01526243
Type: Neutral
Formula: C19H28N2O4S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(C(=O)NC2CCCCC2C)c(cc1)C
InChI:   InChI=1/C19H28N2O4S/c1-14-7-8-16(26(23,24)21-9-11-25-12-10-21)13-17(14)19(22)20-18-6-4-3-5-15(18)2/h7-8,13,15,18H,3-6,9-12H2,1-2H3,(H,20,22)/t15-,18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.7259 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.509 g/mol  logS: -3.88288  SlogP: 2.32442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102149  Sterimol/B1: 2.23793  Sterimol/B2: 3.65949  Sterimol/B3: 4.90654
  Sterimol/B4: 9.68424  Sterimol/L: 16.375 
 
 Surface and Volume Properties
  Accessible surface: 635.722  Positive charged surface: 450.148  Negative charged surface: 185.573  Volume: 358.5
  Hydrophobic surface: 528.019  Hydrophilic surface: 107.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.