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PUBCHEM-ZINC02048461

 MMsINC code: MMs02865791
Type: Neutral
Formula: C10H19NO5
SMILES:   O(C(=O)C(CC(OC)=O)CN(CCO)C)C
InChI:   InChI=1/C10H19NO5/c1-11(4-5-12)7-8(10(14)16-3)6-9(13)15-2/h8,12H,4-7H2,1-3H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=33.9285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.264 g/mol  logS: 0.25937  SlogP: -0.7372  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.106235  Sterimol/B1: 2.03041  Sterimol/B2: 4.54848  Sterimol/B3: 4.78198
  Sterimol/B4: 6.23758  Sterimol/L: 12.5348 
 
 Surface and Volume Properties
  Accessible surface: 480.953  Positive charged surface: 412.095  Negative charged surface: 68.8578  Volume: 225.375
  Hydrophobic surface: 371.949  Hydrophilic surface: 109.004
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02865792
PUBCHEM-ZINC02048461