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PUBCHEM-ZINC02525344

 MMsINC code: MMs02893479
Type: Neutral
Formula: C11H21NO4
SMILES:   O(C(C)(C)C)C(=O)NCCC(C(O)=O)(C)C
InChI:   InChI=1/C11H21NO4/c1-10(2,3)16-9(15)12-7-6-11(4,5)8(13)14/h6-7H2,1-5H3,(H,12,15)(H,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.3849 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.292 g/mol  logS: -1.30463  SlogP: 2.012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.081214  Sterimol/B1: 2.29007  Sterimol/B2: 2.37467  Sterimol/B3: 4.59242
  Sterimol/B4: 4.87456  Sterimol/L: 15.3856 
 
 Surface and Volume Properties
  Accessible surface: 477.591  Positive charged surface: 326.037  Negative charged surface: 151.553  Volume: 230.375
  Hydrophobic surface: 257.303  Hydrophilic surface: 220.288
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02893480
PUBCHEM-ZINC02525344