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ASINEX-ZINC01853454

 MMsINC code: MMs00259182
Type: Neutral
Formula: C6H11NO3
SMILES:   O1CCN(CC1)CC(O)=O
InChI:   InChI=1/C6H11NO3/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.1598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.158 g/mol  logS: 0.22425  SlogP: -0.5968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124483  Sterimol/B1: 2.41959  Sterimol/B2: 2.93887  Sterimol/B3: 3.04416
  Sterimol/B4: 5.20567  Sterimol/L: 10.3447 
 
 Surface and Volume Properties
  Accessible surface: 317.452  Positive charged surface: 256.02  Negative charged surface: 61.4326  Volume: 135.125
  Hydrophobic surface: 207.457  Hydrophilic surface: 109.995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.