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PUBCHEM-ZINC05716002

 MMsINC code: MMs03356857
Type: Ionized
Formula: C16H27N2O6-
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)CNC(=O)CCC(=O)[O-])CC(C)C
InChI:   InChI=1/C16H28N2O6/c1-10(2)8-11(18-15(23)24-16(3,4)5)12(19)9-17-13(20)6-7-14(21)22/h10-11H,6-9H2,1-5H3,(H,17,20)(H,18,23)(H,21,22)/p-1/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=11.6939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.4 g/mol  logS: -2.90503  SlogP: 0.1412  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.063336  Sterimol/B1: 2.14065  Sterimol/B2: 2.5439  Sterimol/B3: 4.67512
  Sterimol/B4: 9.04742  Sterimol/L: 19.3281 
 
 Surface and Volume Properties
  Accessible surface: 648.831  Positive charged surface: 429.689  Negative charged surface: 219.142  Volume: 333.875
  Hydrophobic surface: 358.735  Hydrophilic surface: 290.096
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 2  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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MMs03356856
PUBCHEM-ZINC05716002