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IBS-ZINC01782982

 MMsINC code: MMs01774634
Type: Neutral
Formula: C14H23NO5
SMILES:   OC(=O)C(NC(=O)C(C)(C)C)CC(=O)C(=O)C(C)(C)C
InChI:   InChI=1/C14H23NO5/c1-13(2,3)10(17)9(16)7-8(11(18)19)15-12(20)14(4,5)6/h8H,7H2,1-6H3,(H,15,20)(H,18,19)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=56.9232 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.34 g/mol  logS: -1.52891  SlogP: 1.1763  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.109552  Sterimol/B1: 2.82499  Sterimol/B2: 4.12331  Sterimol/B3: 4.14942
  Sterimol/B4: 6.8455  Sterimol/L: 13.5392 
 
 Surface and Volume Properties
  Accessible surface: 520.329  Positive charged surface: 332.996  Negative charged surface: 187.333  Volume: 281.75
  Hydrophobic surface: 281.832  Hydrophilic surface: 238.497
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs01774635
IBS-ZINC01782982