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MAYBRIDGE-ZINC03120449

 MMsINC code: MMs02160578
Type: Neutral
Formula: C13H23N3O6
SMILES:   O(C(=O)CNC(=O)C(NC(OC(C)(C)C)=O)CC(=O)N)CC
InChI:   InChI=1/C13H23N3O6/c1-5-21-10(18)7-15-11(19)8(6-9(14)17)16-12(20)22-13(2,3)4/h8H,5-7H2,1-4H3,(H2,14,17)(H,15,19)(H,16,20)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=37.6005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.342 g/mol  logS: -1.88999  SlogP: -0.5656  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0466311  Sterimol/B1: 3.23637  Sterimol/B2: 3.273  Sterimol/B3: 3.40096
  Sterimol/B4: 6.46616  Sterimol/L: 19.1765 
 
 Surface and Volume Properties
  Accessible surface: 597.1  Positive charged surface: 421.261  Negative charged surface: 175.838  Volume: 296.625
  Hydrophobic surface: 311.828  Hydrophilic surface: 285.272
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.