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NCID-ZINC01743275

 MMsINC code: MMs02360007
Type: Neutral
Formula: C8H15NO4
SMILES:   O(C(=O)C(NC)C(OCC)=O)CC
InChI:   InChI=1/C8H15NO4/c1-4-12-7(10)6(9-3)8(11)13-5-2/h6,9H,4-5H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.0181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.211 g/mol  logS: -0.82824  SlogP: -0.2994  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109068  Sterimol/B1: 2.54458  Sterimol/B2: 3.67647  Sterimol/B3: 3.7606
  Sterimol/B4: 7.20847  Sterimol/L: 11.2636 
 
 Surface and Volume Properties
  Accessible surface: 441.432  Positive charged surface: 331.432  Negative charged surface: 109.999  Volume: 187.125
  Hydrophobic surface: 304.124  Hydrophilic surface: 137.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.