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ENAMINE-ZINC06507656

 MMsINC code: MMs01664515
Type: Neutral
Formula: C15H25N3O5S
SMILES:   S(=O)(=O)(NC(C)C)c1cc([N+](=O)[O-])c(NCCCOC(C)C)cc1
InChI:   InChI=1/C15H25N3O5S/c1-11(2)17-24(21,22)13-6-7-14(15(10-13)18(19)20)16-8-5-9-23-12(3)4/h6-7,10-12,16-17H,5,8-9H2,1-4H3

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Potential Energy
Epot(MMFF94)=50.6934 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.447 g/mol  logS: -3.4628  SlogP: 2.5085  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0653396  Sterimol/B1: 2.34609  Sterimol/B2: 4.17063  Sterimol/B3: 5.37109
  Sterimol/B4: 5.58049  Sterimol/L: 19.2767 
 
 Surface and Volume Properties
  Accessible surface: 632.781  Positive charged surface: 380.387  Negative charged surface: 252.394  Volume: 331.375
  Hydrophobic surface: 384.159  Hydrophilic surface: 248.622
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.