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MAYBRIDGE-ZINC01040273

 MMsINC code: MMs02153674
Type: Neutral
Formula: C18H24N4O4S
SMILES:   S(Cc1ccc(cc1)C(OC)=O)c1nnc(n1C)CNC(OC(C)(C)C)=O
InChI:   InChI=1/C18H24N4O4S/c1-18(2,3)26-17(24)19-10-14-20-21-16(22(14)4)27-11-12-6-8-13(9-7-12)15(23)25-5/h6-9H,10-11H2,1-5H3,(H,19,24)

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Potential Energy
Epot(MMFF94)=48.0538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.48 g/mol  logS: -4.68656  SlogP: 3.8107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0295636  Sterimol/B1: 2.51432  Sterimol/B2: 3.59661  Sterimol/B3: 4.42284
  Sterimol/B4: 4.84192  Sterimol/L: 23.3136 
 
 Surface and Volume Properties
  Accessible surface: 710.412  Positive charged surface: 480.612  Negative charged surface: 229.8  Volume: 368.25
  Hydrophobic surface: 484.441  Hydrophilic surface: 225.971
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.