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ACDBLOCKS-ZINC04202420

 MMsINC code: MMs00001919
Type: Neutral
Formula: C8H15NO2
SMILES:   OC(=O)C1(N)CCCCCC1
InChI:   InChI=1/C8H15NO2/c9-8(7(10)11)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.2868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.213 g/mol  logS: -1.2641  SlogP: 1.1227  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.301499  Sterimol/B1: 2.90701  Sterimol/B2: 3.12428  Sterimol/B3: 3.81752
  Sterimol/B4: 4.83488  Sterimol/L: 10.0938 
 
 Surface and Volume Properties
  Accessible surface: 331.751  Positive charged surface: 242.758  Negative charged surface: 88.9929  Volume: 158.25
  Hydrophobic surface: 212.905  Hydrophilic surface: 118.846
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.