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PUBCHEM-ZINC03739221

 MMsINC code: MMs03065704
Type: Neutral
Formula: C14H27N
SMILES:   NC(C1CC1)C1CCC(CC1)C(C)(C)C
InChI:   InChI=1/C14H27N/c1-14(2,3)12-8-6-11(7-9-12)13(15)10-4-5-10/h10-13H,4-9,15H2,1-3H3/t11-,12-,13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.0314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.377 g/mol  logS: -4.14586  SlogP: 3.5762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0994383  Sterimol/B1: 2.56705  Sterimol/B2: 3.11453  Sterimol/B3: 4.16682
  Sterimol/B4: 4.91915  Sterimol/L: 13.6299 
 
 Surface and Volume Properties
  Accessible surface: 450.467  Positive charged surface: 339.334  Negative charged surface: 111.134  Volume: 248.25
  Hydrophobic surface: 319.21  Hydrophilic surface: 131.257
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03065705
PUBCHEM-ZINC03739221