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ACROSORGANICS-ZINC01702535

 MMsINC code: MMs00011428
Type: Neutral
Formula: C7H13NO4
SMILES:   O(C(=O)C(N)C(OCC)=O)CC
InChI:   InChI=1/C7H13NO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4,8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.7494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 175.184 g/mol  logS: -0.75266  SlogP: -0.5601  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0866021  Sterimol/B1: 2.38576  Sterimol/B2: 2.90099  Sterimol/B3: 3.1383
  Sterimol/B4: 7.03816  Sterimol/L: 11.1307 
 
 Surface and Volume Properties
  Accessible surface: 399.886  Positive charged surface: 285.459  Negative charged surface: 114.427  Volume: 166.5
  Hydrophobic surface: 226.54  Hydrophilic surface: 173.346
 
 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.