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NCID-ZINC01733530

 MMsINC code: MMs02355966
Type: Neutral
Formula: C15H31NO
SMILES:   O=C(N(CCCCC)CCCCC)CCCC
InChI:   InChI=1/C15H31NO/c1-4-7-10-13-16(14-11-8-5-2)15(17)12-9-6-3/h4-14H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.32825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.419 g/mol  logS: -4.01553  SlogP: 4.3856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0600216  Sterimol/B1: 2.10965  Sterimol/B2: 2.80133  Sterimol/B3: 3.44474
  Sterimol/B4: 11.7062  Sterimol/L: 15.2071 
 
 Surface and Volume Properties
  Accessible surface: 578.511  Positive charged surface: 455.763  Negative charged surface: 122.748  Volume: 291
  Hydrophobic surface: 484.573  Hydrophilic surface: 93.938
 
 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.