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PUBCHEM-ZINC03687648

 MMsINC code: MMs03042178
Type: Neutral
Formula: C26H24N2
SMILES:   [nH]1c2c(ccc3c2cccc3)c(CCCCN)c1-c1c2c(ccc1)cccc2
InChI:   InChI=1/C26H24N2/c27-17-6-5-13-23-24-16-15-19-9-2-4-12-21(19)25(24)28-26(23)22-14-7-10-18-8-1-3-11-20(18)22/h1-4,7-12,14-16,28H,5-6,13,17,27H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.0915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.492 g/mol  logS: -7.95565  SlogP: 6.42267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166117  Sterimol/B1: 2.23864  Sterimol/B2: 2.90612  Sterimol/B3: 7.14558
  Sterimol/B4: 9.87127  Sterimol/L: 15.468 
 
 Surface and Volume Properties
  Accessible surface: 663.02  Positive charged surface: 398.051  Negative charged surface: 241.456  Volume: 379.25
  Hydrophobic surface: 580.554  Hydrophilic surface: 82.466
 
 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: 0
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Ions/Tautomers related molecules


MMs03042179
PUBCHEM-ZINC03687648