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IBS-ZINC02340249

 MMsINC code: MMs01837080
Type: Neutral
Formula: C23H24N2O3
SMILES:   O=C1N(C(C(=O)NC(C)c2cc3CCCCc3cc2)C)C(=O)c2c1cccc2
InChI:   InChI=1/C23H24N2O3/c1-14(17-12-11-16-7-3-4-8-18(16)13-17)24-21(26)15(2)25-22(27)19-9-5-6-10-20(19)23(25)28/h5-6,9-15H,3-4,7-8H2,1-2H3,(H,24,26)/t14-,15+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.3174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.456 g/mol  logS: -6.40586  SlogP: 3.52274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0721907  Sterimol/B1: 2.19507  Sterimol/B2: 3.52695  Sterimol/B3: 5.09091
  Sterimol/B4: 6.87685  Sterimol/L: 19.6183 
 
 Surface and Volume Properties
  Accessible surface: 652.711  Positive charged surface: 396.753  Negative charged surface: 255.958  Volume: 367.125
  Hydrophobic surface: 523.863  Hydrophilic surface: 128.848
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.