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PUBCHEM-ZINC06031750

 MMsINC code: MMs03504362
Type: Neutral
Formula: C10H15N
SMILES:   N#CC1C2(CC(CC2)C1C)C
InChI:   InChI=1/C10H15N/c1-7-8-3-4-10(2,5-8)9(7)6-11/h7-9H,3-5H2,1-2H3/t7-,8-,9-,10+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.8964 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 149.237 g/mol  logS: -3.26605  SlogP: 2.58228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.427279  Sterimol/B1: 3.37425  Sterimol/B2: 3.52355  Sterimol/B3: 4.21897
  Sterimol/B4: 4.29567  Sterimol/L: 9.34349 
 
 Surface and Volume Properties
  Accessible surface: 336.205  Positive charged surface: 230.506  Negative charged surface: 105.699  Volume: 165.625
  Hydrophobic surface: 249.505  Hydrophilic surface: 86.7
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.