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AURORAFEINCHEMIE-ZINC02116121

 MMsINC code: MMs00450613
Type: Neutral
Formula: C16H28N2O5
SMILES:   O(C(C)(C)C)C(=O)NC1(CCCCC1)C(=O)NC(C(OC)=O)C
InChI:   InChI=1/C16H28N2O5/c1-11(12(19)22-5)17-13(20)16(9-7-6-8-10-16)18-14(21)23-15(2,3)4/h11H,6-10H2,1-5H3,(H,17,20)(H,18,21)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=63.0992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.409 g/mol  logS: -3.20065  SlogP: 1.8917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136544  Sterimol/B1: 2.12167  Sterimol/B2: 3.3844  Sterimol/B3: 3.67723
  Sterimol/B4: 10.2079  Sterimol/L: 14.8844 
 
 Surface and Volume Properties
  Accessible surface: 578.464  Positive charged surface: 430.607  Negative charged surface: 147.857  Volume: 324
  Hydrophobic surface: 443.068  Hydrophilic surface: 135.396
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.