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PUBCHEM-ZINC02389758

 MMsINC code: MMs02886935
Type: Neutral
Formula: C13H28N2O2
SMILES:   O(C(C)(C)C)C(=O)NCCCCCCCCN
InChI:   InChI=1/C13H28N2O2/c1-13(2,3)17-12(16)15-11-9-7-5-4-6-8-10-14/h4-11,14H2,1-3H3,(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.37823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.379 g/mol  logS: -2.35044  SlogP: 2.8104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0255906  Sterimol/B1: 2.31623  Sterimol/B2: 2.45872  Sterimol/B3: 3.99583
  Sterimol/B4: 4.91583  Sterimol/L: 20.4602 
 
 Surface and Volume Properties
  Accessible surface: 569.645  Positive charged surface: 454.984  Negative charged surface: 114.66  Volume: 273.75
  Hydrophobic surface: 398.534  Hydrophilic surface: 171.111
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02886936
PUBCHEM-ZINC02389758