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ACROSORGANICS-ZINC06660970

 MMsINC code: MMs00018861
Type: Neutral
Formula: C6H11NO3
SMILES:   O1CCN(CC1OC)C=O
InChI:   InChI=1/C6H11NO3/c1-9-6-4-7(5-8)2-3-10-6/h5-6H,2-4H2,1H3/t6-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.5041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.158 g/mol  logS: 0.13175  SlogP: -0.5525  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115024  Sterimol/B1: 2.66963  Sterimol/B2: 3.20569  Sterimol/B3: 3.58349
  Sterimol/B4: 4.37688  Sterimol/L: 10.9727 
 
 Surface and Volume Properties
  Accessible surface: 324.086  Positive charged surface: 277.822  Negative charged surface: 46.2639  Volume: 137.75
  Hydrophobic surface: 247.438  Hydrophilic surface: 76.648
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.