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PUBCHEM-ZINC03617503

 MMsINC code: MMs03023517
Type: Neutral
Formula: C16H33NO
SMILES:   O=C(N(CCCC)CCCC)C(CCC)CCC
InChI:   InChI=1/C16H33NO/c1-5-9-13-17(14-10-6-2)16(18)15(11-7-3)12-8-4/h15H,5-14H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.1586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.446 g/mol  logS: -4.2173  SlogP: 4.6316  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200736  Sterimol/B1: 3.66647  Sterimol/B2: 3.67195  Sterimol/B3: 4.92659
  Sterimol/B4: 9.16033  Sterimol/L: 13.8385 
 
 Surface and Volume Properties
  Accessible surface: 568.791  Positive charged surface: 429.585  Negative charged surface: 139.207  Volume: 306.25
  Hydrophobic surface: 459.252  Hydrophilic surface: 109.539
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.