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NCID-ZINC05004526

 MMsINC code: MMs02426749
Type: Neutral
Formula: C10H17N2+
SMILES:   [N+](#N)C1C(C2CC1(CC2)C)(C)C
InChI:   InChI=1/C10H17N2/c1-9(2)7-4-5-10(3,6-7)8(9)12-11/h7-8H,4-6H2,1-3H3/q+1/t7-,8+,10+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.2752 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.26 g/mol  logS: -1.77782  SlogP: 3.05428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.390486  Sterimol/B1: 2.95889  Sterimol/B2: 3.86984  Sterimol/B3: 3.90846
  Sterimol/B4: 5.49258  Sterimol/L: 9.17417 
 
 Surface and Volume Properties
  Accessible surface: 351.961  Positive charged surface: 232.894  Negative charged surface: 119.067  Volume: 182.375
  Hydrophobic surface: 257.751  Hydrophilic surface: 94.21
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  Chiral centers: 3
 
 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.