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NCID-ZINC01660265

 MMsINC code: MMs02297706
Type: Neutral
Formula: C23H28N2O
SMILES:   O=C(NC(c1ccccc1)c1ccccc1)CC1CC2N(C(C1)CC2)C
InChI:   InChI=1/C23H28N2O/c1-25-20-12-13-21(25)15-17(14-20)16-22(26)24-23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21,23H,12-16H2,1H3,(H,24,26)/t17-,20+,21-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=295.054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.49 g/mol  logS: -4.25981  SlogP: 4.2506  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127878  Sterimol/B1: 3.30989  Sterimol/B2: 4.37944  Sterimol/B3: 4.85387
  Sterimol/B4: 6.84361  Sterimol/L: 14.7839 
 
 Surface and Volume Properties
  Accessible surface: 621.172  Positive charged surface: 418.192  Negative charged surface: 202.98  Volume: 357.875
  Hydrophobic surface: 600.388  Hydrophilic surface: 20.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02297707
NCID-ZINC01660265