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PUBCHEM-ZINC06066685

 MMsINC code: MMs03519575
Type: Neutral
Formula: C10H15N
SMILES:   N#CC1C2CC(C(C2)C1C)C
InChI:   InChI=1/C10H15N/c1-6-3-8-4-9(6)7(2)10(8)5-11/h6-10H,3-4H2,1-2H3/t6-,7-,8-,9-,10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.0646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 149.237 g/mol  logS: -3.26605  SlogP: 2.43818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.257992  Sterimol/B1: 3.23827  Sterimol/B2: 3.24502  Sterimol/B3: 3.39829
  Sterimol/B4: 4.55638  Sterimol/L: 10.5611 
 
 Surface and Volume Properties
  Accessible surface: 342.332  Positive charged surface: 233.365  Negative charged surface: 108.967  Volume: 166.875
  Hydrophobic surface: 243.77  Hydrophilic surface: 98.562
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.