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PUBCHEM-ZINC04894040

 MMsINC code: MMs03182202
Type: Neutral
Formula: C14H26N2O
SMILES:   O=C(N1CCN(CC1)CC)CCC1CCCC1
InChI:   InChI=1/C14H26N2O/c1-2-15-9-11-16(12-10-15)14(17)8-7-13-5-3-4-6-13/h13H,2-12H2,1H3

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Potential Energy
Epot(MMFF94)=46.4484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.375 g/mol  logS: -2.71425  SlogP: 2.1209  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0496183  Sterimol/B1: 2.23419  Sterimol/B2: 3.37888  Sterimol/B3: 3.50454
  Sterimol/B4: 5.91855  Sterimol/L: 16.1516 
 
 Surface and Volume Properties
  Accessible surface: 514.176  Positive charged surface: 430.245  Negative charged surface: 83.9301  Volume: 264.375
  Hydrophobic surface: 458.626  Hydrophilic surface: 55.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03182203
PUBCHEM-ZINC04894040