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PUBCHEM-ZINC01480318

 MMsINC code: MMs02811903
Type: Neutral
Formula: C11H19NO
SMILES:   O=C(NC1CC1)CCC1CCCC1
InChI:   InChI=1/C11H19NO/c13-11(12-10-6-7-10)8-5-9-3-1-2-4-9/h9-10H,1-8H2,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.279 g/mol  logS: -2.99868  SlogP: 2.2354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0507828  Sterimol/B1: 2.27185  Sterimol/B2: 2.8083  Sterimol/B3: 3.15049
  Sterimol/B4: 4.46899  Sterimol/L: 14.2492 
 
 Surface and Volume Properties
  Accessible surface: 437.606  Positive charged surface: 331.135  Negative charged surface: 106.471  Volume: 202.875
  Hydrophobic surface: 345.23  Hydrophilic surface: 92.376
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.