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PUBCHEM-ZINC06691803

 MMsINC code: MMs03839359
Type: Neutral
Formula: C13H24N2O
SMILES:   O=C1N(CCCCC1)CCC1CCNCC1
InChI:   InChI=1/C13H24N2O/c16-13-4-2-1-3-10-15(13)11-7-12-5-8-14-9-6-12/h12,14H,1-11H2

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Potential Energy
Epot(MMFF94)=18.7673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.348 g/mol  logS: -0.89061  SlogP: 1.7787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0885015  Sterimol/B1: 3.08711  Sterimol/B2: 3.17265  Sterimol/B3: 3.67699
  Sterimol/B4: 4.31605  Sterimol/L: 13.963 
 
 Surface and Volume Properties
  Accessible surface: 458.989  Positive charged surface: 377.769  Negative charged surface: 81.2205  Volume: 242.625
  Hydrophobic surface: 402.716  Hydrophilic surface: 56.273
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03839360
PUBCHEM-ZINC06691803