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NCID-ZINC01559064

 MMsINC code: MMs02221911
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)=38.1337 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: 0.0350688  Sterimol/B1: 3.16151  Sterimol/B2: 3.24833  Sterimol/B3: 3.99192
  Sterimol/B4: 4.01444  Sterimol/L: 18.3606 
 
 Surface and Volume Properties
  Accessible surface: 524.615  Positive charged surface: 375.659  Negative charged surface: 148.956  Volume: 258.125
  Hydrophobic surface: 466.177  Hydrophilic surface: 58.438
 
 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


MMs02221912
NCID-ZINC01559064