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IBS-ZINC06645407

 MMsINC code: MMs01958827
Type: Neutral
Formula: C14H24N2O5
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)N1CCC(CC1)C(O)=O)C
InChI:   InChI=1/C14H24N2O5/c1-9(15-13(20)21-14(2,3)4)11(17)16-7-5-10(6-8-16)12(18)19/h9-10H,5-8H2,1-4H3,(H,15,20)(H,18,19)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=33.6082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.355 g/mol  logS: -1.52005  SlogP: 1.2228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.063347  Sterimol/B1: 2.44189  Sterimol/B2: 2.5164  Sterimol/B3: 5.15988
  Sterimol/B4: 5.22668  Sterimol/L: 17.2787 
 
 Surface and Volume Properties
  Accessible surface: 550.718  Positive charged surface: 387.769  Negative charged surface: 162.949  Volume: 288
  Hydrophobic surface: 320.222  Hydrophilic surface: 230.496
 
 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


MMs01958828
IBS-ZINC06645407