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IBS-ZINC01253401

 MMsINC code: MMs01764458
Type: Neutral
Formula: C24H26N2O2
SMILES:   OC(C(=O)NN(CC)c1ccccc1)(c1cc(ccc1)C)c1cc(ccc1)C
InChI:   InChI=1/C24H26N2O2/c1-4-26(22-14-6-5-7-15-22)25-23(27)24(28,20-12-8-10-18(2)16-20)21-13-9-11-19(3)17-21/h5-17,28H,4H2,1-3H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=150.043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.484 g/mol  logS: -5.96815  SlogP: 4.40854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147142  Sterimol/B1: 2.56331  Sterimol/B2: 3.96205  Sterimol/B3: 4.52775
  Sterimol/B4: 10.5921  Sterimol/L: 15.8863 
 
 Surface and Volume Properties
  Accessible surface: 658.319  Positive charged surface: 405.618  Negative charged surface: 252.7  Volume: 384.625
  Hydrophobic surface: 589.575  Hydrophilic surface: 68.744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.