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ALFAAESAR-ZINC01555283

 MMsINC code: MMs00021279
Type: Neutral
Formula: C10H21NO
SMILES:   O=C(N(CCCC)CCCC)C
InChI:   InChI=1/C10H21NO/c1-4-6-8-11(10(3)12)9-7-5-2/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.95577 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -1.75288  SlogP: 2.4351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0850126  Sterimol/B1: 2.43597  Sterimol/B2: 2.7345  Sterimol/B3: 3.67414
  Sterimol/B4: 6.2104  Sterimol/L: 13.5023 
 
 Surface and Volume Properties
  Accessible surface: 430.387  Positive charged surface: 316.997  Negative charged surface: 113.39  Volume: 204.375
  Hydrophobic surface: 350.045  Hydrophilic surface: 80.342
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.