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PUBCHEM-ZINC01412822

 MMsINC code: MMs02802722
Type: Neutral
Formula: C24H24N2O2
SMILES:   O=C1N(C(C(=O)NCc2c3c(ccc2)cccc3)(C)C)C(C1)c1ccccc1
InChI:   InChI=1/C24H24N2O2/c1-24(2,26-21(15-22(26)27)18-10-4-3-5-11-18)23(28)25-16-19-13-8-12-17-9-6-7-14-20(17)19/h3-14,21H,15-16H2,1-2H3,(H,25,28)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.2521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -5.92855  SlogP: 4.5701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144591  Sterimol/B1: 2.22094  Sterimol/B2: 4.3371  Sterimol/B3: 4.47491
  Sterimol/B4: 9.08185  Sterimol/L: 15.2655 
 
 Surface and Volume Properties
  Accessible surface: 613.751  Positive charged surface: 318.328  Negative charged surface: 254.724  Volume: 375
  Hydrophobic surface: 521.56  Hydrophilic surface: 92.191
 
 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: no related molecules available.