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PUBCHEM-ZINC00505425

 MMsINC code: MMs02694859
Type: Neutral
Formula: C15H27NO
SMILES:   O=C(NC1CCCCCC1)CCC1CCCC1
InChI:   InChI=1/C15H27NO/c17-15(12-11-13-7-5-6-8-13)16-14-9-3-1-2-4-10-14/h13-14H,1-12H2,(H,16,17)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.8681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.387 g/mol  logS: -4.43266  SlogP: 3.7958  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0637392  Sterimol/B1: 2.79401  Sterimol/B2: 3.18404  Sterimol/B3: 4.28059
  Sterimol/B4: 4.81655  Sterimol/L: 16.145 
 
 Surface and Volume Properties
  Accessible surface: 513.404  Positive charged surface: 409.903  Negative charged surface: 103.501  Volume: 265.625
  Hydrophobic surface: 473.526  Hydrophilic surface: 39.878
 
 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.