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NCID-ZINC01682885

 MMsINC code: MMs02316517
Type: Neutral
Formula: C13H24N2
SMILES:   N(CCCN1CC2C(CC=CC2)C1)(C)C
InChI:   InChI=1/C13H24N2/c1-14(2)8-5-9-15-10-12-6-3-4-7-13(12)11-15/h3-4,12-13H,5-11H2,1-2H3/t12-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=36.951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.349 g/mol  logS: -0.30809  SlogP: 1.8361  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0668265  Sterimol/B1: 2.40323  Sterimol/B2: 3.46397  Sterimol/B3: 4.28751
  Sterimol/B4: 4.36144  Sterimol/L: 15.3234 
 
 Surface and Volume Properties
  Accessible surface: 470.801  Positive charged surface: 415.09  Negative charged surface: 55.7108  Volume: 240.625
  Hydrophobic surface: 431.807  Hydrophilic surface: 38.994
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02316518
NCID-ZINC01682885