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COMGENEX-ZINC04779588

 MMsINC code: MMs01159362
Type: Neutral
Formula: C18H29NO4S
SMILES:   S(Oc1ccc(cc1)CN(C(=O)C(C)(C)C)CC(C)C)(=O)(=O)CC
InChI:   InChI=1/C18H29NO4S/c1-7-24(21,22)23-16-10-8-15(9-11-16)13-19(12-14(2)3)17(20)18(4,5)6/h8-11,14H,7,12-13H2,1-6H3

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Potential Energy
Epot(MMFF94)=141.768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.499 g/mol  logS: -3.36912  SlogP: 3.7122  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0792275  Sterimol/B1: 3.62952  Sterimol/B2: 3.83091  Sterimol/B3: 4.02823
  Sterimol/B4: 6.20739  Sterimol/L: 16.1185 
 
 Surface and Volume Properties
  Accessible surface: 597.659  Positive charged surface: 367.832  Negative charged surface: 229.827  Volume: 346.5
  Hydrophobic surface: 404.47  Hydrophilic surface: 193.189
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.