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PUBCHEM-ZINC06409538

 MMsINC code: MMs03713173
Type: Neutral
Formula: C8H15NO2
SMILES:   OC(=O)C(N)C1CCCC1C
InChI:   InChI=1/C8H15NO2/c1-5-3-2-4-6(5)7(9)8(10)11/h5-7H,2-4,9H2,1H3,(H,10,11)/t5-,6+,7+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.1789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.213 g/mol  logS: -1.45211  SlogP: 0.8345  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.206051  Sterimol/B1: 2.1026  Sterimol/B2: 2.42258  Sterimol/B3: 3.65225
  Sterimol/B4: 5.7709  Sterimol/L: 9.75511 
 
 Surface and Volume Properties
  Accessible surface: 340.949  Positive charged surface: 259.083  Negative charged surface: 81.8659  Volume: 159.875
  Hydrophobic surface: 196.74  Hydrophilic surface: 144.209
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.