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ENAMINE-ZINC03459400

 MMsINC code: MMs01456218
Type: Neutral
Formula: C24H24N2O2
SMILES:   O=C(c1ccc(cc1)C(=O)NCC(N(C)C)c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H24N2O2/c1-26(2)22(18-9-5-3-6-10-18)17-25-24(28)21-15-13-20(14-16-21)23(27)19-11-7-4-8-12-19/h3-16,22H,17H2,1-2H3,(H,25,28)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=149.318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -5.26961  SlogP: 4.0458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0397364  Sterimol/B1: 2.16724  Sterimol/B2: 3.31168  Sterimol/B3: 4.62337
  Sterimol/B4: 6.16465  Sterimol/L: 20.9827 
 
 Surface and Volume Properties
  Accessible surface: 660.886  Positive charged surface: 408.784  Negative charged surface: 252.102  Volume: 379.625
  Hydrophobic surface: 587.987  Hydrophilic surface: 72.899
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01456219
ENAMINE-ZINC03459400