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ALFAAESAR-ZINC00071424

 MMsINC code: MMs00019442
Type: Neutral
Formula: C10H15NO2
SMILES:   O=C1N(C2CCCCC2)C(=O)CC1
InChI:   InChI=1/C10H15NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h8H,1-7H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-2.37233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.235 g/mol  logS: -1.42825  SlogP: 1.4681  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178067  Sterimol/B1: 3.37063  Sterimol/B2: 3.62262  Sterimol/B3: 3.63045
  Sterimol/B4: 4.53777  Sterimol/L: 11.1141 
 
 Surface and Volume Properties
  Accessible surface: 373.151  Positive charged surface: 262.597  Negative charged surface: 110.554  Volume: 181.25
  Hydrophobic surface: 303.245  Hydrophilic surface: 69.906
 
 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.