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PUBCHEM-ZINC05751233

 MMsINC code: MMs03370718
Type: Neutral
Formula: C15H27N
SMILES:   N(C(CCC12CC3CC(C1)CC(C2)C3)C)C
InChI:   InChI=1/C15H27N/c1-11(16-2)3-4-15-8-12-5-13(9-15)7-14(6-12)10-15/h11-14,16H,3-10H2,1-2H3/t11-,12-,13+,14-,15+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.0727 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.388 g/mol  logS: -5.05975  SlogP: 3.5909  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143993  Sterimol/B1: 2.2863  Sterimol/B2: 3.75475  Sterimol/B3: 4.05362
  Sterimol/B4: 5.50177  Sterimol/L: 12.9917 
 
 Surface and Volume Properties
  Accessible surface: 456.691  Positive charged surface: 393.572  Negative charged surface: 63.1193  Volume: 250.875
  Hydrophobic surface: 417.983  Hydrophilic surface: 38.708
 
 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


MMs03370719
PUBCHEM-ZINC05751233