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PUBCHEM-ZINC06031548

 MMsINC code: MMs03504117
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+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.9235 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: 0.384172  Sterimol/B1: 2.51818  Sterimol/B2: 2.97738  Sterimol/B3: 4.0444
  Sterimol/B4: 5.32927  Sterimol/L: 9.87467 
 
 Surface and Volume Properties
  Accessible surface: 339.997  Positive charged surface: 234.293  Negative charged surface: 105.705  Volume: 165.625
  Hydrophobic surface: 243.869  Hydrophilic surface: 96.128
 
 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.