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CHEMDIV-ZINC02466582

 MMsINC code: MMs00878413
Type: Neutral
Formula: C26H24N2O2
SMILES:   O=C1N2C(c3c(CC2)cccc3)C(c2c1cccc2)C(=O)N(Cc1ccccc1)C
InChI:   InChI=1/C26H24N2O2/c1-27(17-18-9-3-2-4-10-18)26(30)23-21-13-7-8-14-22(21)25(29)28-16-15-19-11-5-6-12-20(19)24(23)28/h2-14,23-24H,15-17H2,1H3/t23-,24+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.99 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.49 g/mol  logS: -5.2697  SlogP: 4.54387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138017  Sterimol/B1: 2.69265  Sterimol/B2: 3.71034  Sterimol/B3: 5.36287
  Sterimol/B4: 8.10478  Sterimol/L: 15.9507 
 
 Surface and Volume Properties
  Accessible surface: 620.697  Positive charged surface: 376.677  Negative charged surface: 244.02  Volume: 392
  Hydrophobic surface: 567.015  Hydrophilic surface: 53.682
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
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Ions/Tautomers related molecules: no related molecules available.