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PUBCHEM-ZINC03690221

 MMsINC code: MMs03043487
Type: Neutral
Formula: C24H24N2
SMILES:   [nH]1c2c(cccc2)c(CCCCN)c1-c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C24H24N2/c25-17-7-6-11-22-21-10-4-5-12-23(21)26-24(22)20-15-13-19(14-16-20)18-8-2-1-3-9-18/h1-5,8-10,12-16,26H,6-7,11,17,25H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.2419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.47 g/mol  logS: -6.62627  SlogP: 5.78327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0792027  Sterimol/B1: 3.45096  Sterimol/B2: 3.50387  Sterimol/B3: 5.3726
  Sterimol/B4: 7.93363  Sterimol/L: 18.0714 
 
 Surface and Volume Properties
  Accessible surface: 649.886  Positive charged surface: 391.236  Negative charged surface: 243.193  Volume: 361.5
  Hydrophobic surface: 558.509  Hydrophilic surface: 91.377
 
 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


MMs03043488
PUBCHEM-ZINC03690221