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NCID-ZINC01666596

 MMsINC code: MMs02302782
Type: Neutral
Formula: C10H17NO5
SMILES:   O(C(=O)C)CCN(C(=O)C)CCOC(=O)C
InChI:   InChI=1/C10H17NO5/c1-8(12)11(4-6-15-9(2)13)5-7-16-10(3)14/h4-7H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.0687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.248 g/mol  logS: -0.49554  SlogP: -0.0389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.206352  Sterimol/B1: 2.44462  Sterimol/B2: 3.42344  Sterimol/B3: 4.17704
  Sterimol/B4: 7.88115  Sterimol/L: 13.3181 
 
 Surface and Volume Properties
  Accessible surface: 472.589  Positive charged surface: 308.532  Negative charged surface: 164.058  Volume: 221
  Hydrophobic surface: 350.414  Hydrophilic surface: 122.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.