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PUBCHEM-ZINC03739220

 MMsINC code: MMs03065702
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-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.6791 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: 0.200804  Sterimol/B1: 2.82954  Sterimol/B2: 3.55999  Sterimol/B3: 4.88652
  Sterimol/B4: 4.90195  Sterimol/L: 12.5516 
 
 Surface and Volume Properties
  Accessible surface: 440.067  Positive charged surface: 318.526  Negative charged surface: 121.541  Volume: 246
  Hydrophobic surface: 314.427  Hydrophilic surface: 125.64
 
 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


MMs03065703
PUBCHEM-ZINC03739220