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ACROSORGANICS-ZINC01683490

 MMsINC code: MMs00010837
Type: Neutral
Formula: C6H13NO4
SMILES:   OC(=O)CN(CCO)CCO
InChI:   InChI=1/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.173 g/mol  logS: 0.92081  SlogP: -1.6424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.237906  Sterimol/B1: 2.33536  Sterimol/B2: 3.58136  Sterimol/B3: 4.01704
  Sterimol/B4: 4.0488  Sterimol/L: 10.5458 
 
 Surface and Volume Properties
  Accessible surface: 344.652  Positive charged surface: 284.067  Negative charged surface: 60.585  Volume: 150.125
  Hydrophobic surface: 173.062  Hydrophilic surface: 171.59
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.