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CHEMBRIDGE-ZINC04762702

 MMsINC code: MMs00786255
Type: Neutral
Formula: C15H28N+
SMILES:   [N+](C(C)C12CC3CC(C1)CC(C2)C3)(C)(C)C
InChI:   InChI=1/C15H28N/c1-11(16(2,3)4)15-8-12-5-13(9-15)7-14(6-12)10-15/h11-14H,5-10H2,1-4H3/q+1/t11-,12-,13+,14-,15-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=228.358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.396 g/mol  logS: -3.40298  SlogP: 3.2975  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.29513  Sterimol/B1: 2.2126  Sterimol/B2: 3.56005  Sterimol/B3: 4.20439
  Sterimol/B4: 5.93748  Sterimol/L: 11.0956 
 
 Surface and Volume Properties
  Accessible surface: 404.36  Positive charged surface: 354.052  Negative charged surface: 50.3077  Volume: 242.875
  Hydrophobic surface: 346.177  Hydrophilic surface: 58.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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: no related molecules available.