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PUBCHEM-ZINC02008158

 MMsINC code: MMs02847506
Type: Neutral
Formula: C24H32N2
SMILES:   N1(CCCCC1)CCCN1CC(c2c1cccc2)(CC)c1ccccc1
InChI:   InChI=1/C24H32N2/c1-2-24(21-12-5-3-6-13-21)20-26(23-15-8-7-14-22(23)24)19-11-18-25-16-9-4-10-17-25/h3,5-8,12-15H,2,4,9-11,16-20H2,1H3/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=154.21 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.534 g/mol  logS: -4.70942  SlogP: 5.0787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0829944  Sterimol/B1: 2.3558  Sterimol/B2: 3.28741  Sterimol/B3: 6.17022
  Sterimol/B4: 6.45991  Sterimol/L: 18.6708 
 
 Surface and Volume Properties
  Accessible surface: 638.908  Positive charged surface: 463.323  Negative charged surface: 175.585  Volume: 379.125
  Hydrophobic surface: 603.022  Hydrophilic surface: 35.886
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02847507
PUBCHEM-ZINC02008158