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NCID-ZINC01733512

 MMsINC code: MMs02355954
Type: Neutral
Formula: C13H27NO
SMILES:   O=C(N(CCCC)CCCC)CCCC
InChI:   InChI=1/C13H27NO/c1-4-7-10-13(15)14(11-8-5-2)12-9-6-3/h4-12H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.41208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.365 g/mol  logS: -2.98509  SlogP: 3.6054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0766641  Sterimol/B1: 2.44028  Sterimol/B2: 2.99663  Sterimol/B3: 3.18501
  Sterimol/B4: 9.68561  Sterimol/L: 14.9714 
 
 Surface and Volume Properties
  Accessible surface: 524.877  Positive charged surface: 406.402  Negative charged surface: 118.475  Volume: 257.625
  Hydrophobic surface: 428.687  Hydrophilic surface: 96.19
 
 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.