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PUBCHEM-ZINC03609801

 MMsINC code: MMs03021572
Type: Neutral
Formula: C15H23N
SMILES:   N1(CCCCCC1)C(Cc1ccccc1)C
InChI:   InChI=1/C15H23N/c1-14(13-15-9-5-4-6-10-15)16-11-7-2-3-8-12-16/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.7072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.356 g/mol  logS: -2.60093  SlogP: 3.49357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.26342  Sterimol/B1: 2.36347  Sterimol/B2: 3.62924  Sterimol/B3: 4.20394
  Sterimol/B4: 7.38856  Sterimol/L: 11.4037 
 
 Surface and Volume Properties
  Accessible surface: 438.94  Positive charged surface: 304.723  Negative charged surface: 134.217  Volume: 247.625
  Hydrophobic surface: 419.836  Hydrophilic surface: 19.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03021573
PUBCHEM-ZINC03609801