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ALFAAESAR-ZINC01635591

 MMsINC code: MMs00021559
Type: Neutral
Formula: C11H23NO2
SMILES:   O(C(=O)CCN(CCC)CCC)CC
InChI:   InChI=1/C11H23NO2/c1-4-8-12(9-5-2)10-7-11(13)14-6-3/h4-10H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.6061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.31 g/mol  logS: -1.16369  SlogP: 2.0616  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0532563  Sterimol/B1: 2.41279  Sterimol/B2: 2.94362  Sterimol/B3: 3.13595
  Sterimol/B4: 8.63181  Sterimol/L: 14.2479 
 
 Surface and Volume Properties
  Accessible surface: 487.437  Positive charged surface: 375.743  Negative charged surface: 111.693  Volume: 227.875
  Hydrophobic surface: 379.801  Hydrophilic surface: 107.636
 
 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


MMs00021560
ALFAAESAR-ZINC01635591