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PUBCHEM-ZINC05410424

 MMsINC code: MMs03260265
Type: Neutral
Formula: C15H30N2O2
SMILES:   O=CCCNCCCCCCCCCNCCC=O
InChI:   InChI=1/C15H30N2O2/c18-14-8-12-16-10-6-4-2-1-3-5-7-11-17-13-9-15-19/h14-17H,1-13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-2.58532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.417 g/mol  logS: -1.3061  SlogP: 2.0743  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0132411  Sterimol/B1: 2.11926  Sterimol/B2: 2.52761  Sterimol/B3: 2.5285
  Sterimol/B4: 3.06353  Sterimol/L: 24.9666 
 
 Surface and Volume Properties
  Accessible surface: 636.524  Positive charged surface: 509.97  Negative charged surface: 126.554  Volume: 306.75
  Hydrophobic surface: 473.52  Hydrophilic surface: 163.004
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs03260266
PUBCHEM-ZINC05410424