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PUBCHEM-ZINC01843534

 MMsINC code: MMs02822587
Type: Neutral
Formula: C19H23N
SMILES:   NC1CCC(CCC1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H23N/c20-18-12-7-14-19(15-13-18,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15,20H2/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=180.896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.4 g/mol  logS: -4.41288  SlogP: 4.2641  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.24047  Sterimol/B1: 3.34537  Sterimol/B2: 4.14674  Sterimol/B3: 4.59919
  Sterimol/B4: 5.96267  Sterimol/L: 13.0208 
 
 Surface and Volume Properties
  Accessible surface: 480.011  Positive charged surface: 320.832  Negative charged surface: 159.179  Volume: 280.75
  Hydrophobic surface: 424.094  Hydrophilic surface: 55.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02822588
PUBCHEM-ZINC01843534