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PUBCHEM-ZINC03696145

 MMsINC code: MMs03046179
Type: Neutral
Formula: C24H26N2O
SMILES:   O(Cc1ccccc1)c1cc2c(cc1)C(NCC2)c1ccc(N(C)C)cc1
InChI:   InChI=1/C24H26N2O/c1-26(2)21-10-8-19(9-11-21)24-23-13-12-22(16-20(23)14-15-25-24)27-17-18-6-4-3-5-7-18/h3-13,16,24-25H,14-15,17H2,1-2H3/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.485 g/mol  logS: -4.82284  SlogP: 4.92857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0758938  Sterimol/B1: 2.51973  Sterimol/B2: 3.04558  Sterimol/B3: 4.60743
  Sterimol/B4: 9.6557  Sterimol/L: 18.6815 
 
 Surface and Volume Properties
  Accessible surface: 671.194  Positive charged surface: 476.223  Negative charged surface: 194.972  Volume: 375.625
  Hydrophobic surface: 640.571  Hydrophilic surface: 30.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs03046180
PUBCHEM-ZINC03696145