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NCID-ZINC01559062

 MMsINC code: MMs02221907
Type: Neutral
Formula: C15H23N
SMILES:   N1C(Cc2ccccc2)C1CCCCCC
InChI:   InChI=1/C15H23N/c1-2-3-4-8-11-14-15(16-14)12-13-9-6-5-7-10-13/h5-7,9-10,14-16H,2-4,8,11-12H2,1H3/t14-,15+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.6203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.356 g/mol  logS: -3.92555  SlogP: 3.53987  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0460693  Sterimol/B1: 2.94773  Sterimol/B2: 3.44769  Sterimol/B3: 4.05161
  Sterimol/B4: 4.41234  Sterimol/L: 18.121 
 
 Surface and Volume Properties
  Accessible surface: 514.372  Positive charged surface: 355.39  Negative charged surface: 158.982  Volume: 258.625
  Hydrophobic surface: 457.485  Hydrophilic surface: 56.887
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02221908
NCID-ZINC01559062