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CHEMBLOCK-ZINC00049388

 MMsINC code: MMs00488397
Type: Neutral
Formula: C23H25FN2+2
SMILES:   Fc1ccccc1C1[NH+](CC[NH+]1Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C23H23FN2/c24-22-14-8-7-13-21(22)23-25(17-19-9-3-1-4-10-19)15-16-26(23)18-20-11-5-2-6-12-20/h1-14,23H,15-18H2/p+2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.4387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.465 g/mol  logS: -4.96579  SlogP: 2.6364  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126445  Sterimol/B1: 3.13729  Sterimol/B2: 3.76929  Sterimol/B3: 4.19444
  Sterimol/B4: 9.3563  Sterimol/L: 16.5766 
 
 Surface and Volume Properties
  Accessible surface: 623.834  Positive charged surface: 380.003  Negative charged surface: 243.831  Volume: 365.125
  Hydrophobic surface: 596.665  Hydrophilic surface: 27.169
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  Chiral centers: 0
 
 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


MMs00488398
CHEMBLOCK-ZINC00049388