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ACROSORGANICS-ZINC00395510

 MMsINC code: MMs00007457
Type: Neutral
Formula: C7H11NO2
SMILES:   O=C1CCN(CC1)C(=O)C
InChI:   InChI=1/C7H11NO2/c1-6(9)8-4-2-7(10)3-5-8/h2-5H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.41969 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 141.17 g/mol  logS: 0.09149  SlogP: 0.1978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158555  Sterimol/B1: 2.74363  Sterimol/B2: 3.34389  Sterimol/B3: 3.91333
  Sterimol/B4: 3.93596  Sterimol/L: 10.0899 
 
 Surface and Volume Properties
  Accessible surface: 316.22  Positive charged surface: 210.598  Negative charged surface: 105.622  Volume: 138.5
  Hydrophobic surface: 232.879  Hydrophilic surface: 83.341
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.