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PUBCHEM-ZINC03685978

 MMsINC code: MMs03041356
Type: Neutral
Formula: C24H32N2
SMILES:   [nH]1c2c(cc(cc2)CCCC)c(CCCCN)c1-c1ccc(cc1)CC
InChI:   InChI=1/C24H32N2/c1-3-5-8-19-12-15-23-22(17-19)21(9-6-7-16-25)24(26-23)20-13-10-18(4-2)11-14-20/h10-15,17,26H,3-9,16,25H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.4917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.534 g/mol  logS: -7.20861  SlogP: 6.02121  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0505791  Sterimol/B1: 2.66777  Sterimol/B2: 4.44374  Sterimol/B3: 6.32092
  Sterimol/B4: 7.10831  Sterimol/L: 20.1858 
 
 Surface and Volume Properties
  Accessible surface: 712.514  Positive charged surface: 509.096  Negative charged surface: 198.508  Volume: 389
  Hydrophobic surface: 576.068  Hydrophilic surface: 136.446
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03041357
PUBCHEM-ZINC03685978