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PUBCHEM-ZINC06380741

 MMsINC code: MMs03694713
Type: Neutral
Formula: C18H24N2O3S
SMILES:   S(C=1N(OCCC)C(=O)NC(=O)C=1C(C)C)c1cc(cc(c1)C)C
InChI:   InChI=1/C18H24N2O3S/c1-6-7-23-20-17(15(11(2)3)16(21)19-18(20)22)24-14-9-12(4)8-13(5)10-14/h8-11H,6-7H2,1-5H3,(H,19,21,22)

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Potential Energy
Epot(MMFF94)=50.6814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.467 g/mol  logS: -6.25633  SlogP: 4.15654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.309873  Sterimol/B1: 2.26395  Sterimol/B2: 3.33473  Sterimol/B3: 5.5648
  Sterimol/B4: 9.89941  Sterimol/L: 13.0857 
 
 Surface and Volume Properties
  Accessible surface: 604.919  Positive charged surface: 385.226  Negative charged surface: 219.693  Volume: 337.625
  Hydrophobic surface: 424.849  Hydrophilic surface: 180.07
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.