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IBS-ZINC03882973

 MMsINC code: MMs01872033
Type: Neutral
Formula: C14H24N2O5
SMILES:   OC(=O)C(NC(=O)C(C)(C)C)CC(=O)NC(=O)C(C)(C)C
InChI:   InChI=1/C14H24N2O5/c1-13(2,3)11(20)15-8(10(18)19)7-9(17)16-12(21)14(4,5)6/h8H,7H2,1-6H3,(H,15,20)(H,18,19)(H,16,17,21)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=50.8438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.355 g/mol  logS: -1.42609  SlogP: 0.6809  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0803083  Sterimol/B1: 2.45602  Sterimol/B2: 3.04992  Sterimol/B3: 4.4961
  Sterimol/B4: 7.94797  Sterimol/L: 14.6796 
 
 Surface and Volume Properties
  Accessible surface: 556.635  Positive charged surface: 361.868  Negative charged surface: 194.766  Volume: 292.125
  Hydrophobic surface: 299.077  Hydrophilic surface: 257.558
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs01872034
IBS-ZINC03882973