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PUBCHEM-ZINC00280104

 MMsINC code: MMs02649905
Type: Neutral
Formula: C14H30N2
SMILES:   N(CC(CN(C)C)(C)C)C1CC(CCC1)C
InChI:   InChI=1/C14H30N2/c1-12-7-6-8-13(9-12)15-10-14(2,3)11-16(4)5/h12-13,15H,6-11H2,1-5H3/t12-,13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.2197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.408 g/mol  logS: -1.84704  SlogP: 2.7425  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161453  Sterimol/B1: 2.63423  Sterimol/B2: 2.77296  Sterimol/B3: 4.85653
  Sterimol/B4: 6.28038  Sterimol/L: 13.3586 
 
 Surface and Volume Properties
  Accessible surface: 491.201  Positive charged surface: 416.413  Negative charged surface: 74.7882  Volume: 269.875
  Hydrophobic surface: 439.698  Hydrophilic surface: 51.503
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02649906
PUBCHEM-ZINC00280104