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PUBCHEM-ZINC02526792

 MMsINC code: MMs02893802
Type: Neutral
Formula: C11H19NO5
SMILES:   OC1CC(N(CC1)C(OC(C)(C)C)=O)C(O)=O
InChI:   InChI=1/C11H19NO5/c1-11(2,3)17-10(16)12-5-4-7(13)6-8(12)9(14)15/h7-8,13H,4-6H2,1-3H3,(H,14,15)/t7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=58.2665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.275 g/mol  logS: -1.06125  SlogP: 0.8314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122207  Sterimol/B1: 2.52186  Sterimol/B2: 4.51837  Sterimol/B3: 4.78743
  Sterimol/B4: 4.8914  Sterimol/L: 12.5656 
 
 Surface and Volume Properties
  Accessible surface: 456.884  Positive charged surface: 330.356  Negative charged surface: 126.528  Volume: 229.875
  Hydrophobic surface: 270.201  Hydrophilic surface: 186.683
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02893803
PUBCHEM-ZINC02526792