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ENAMINE-ZINC03377032

 MMsINC code: MMs01404645
Type: Neutral
Formula: C23H24N2O3
SMILES:   O=C1N(C(C(=O)c2cc(ccc2C)C)C)C(=O)NC12CCCc1c2cccc1
InChI:   InChI=1/C23H24N2O3/c1-14-10-11-15(2)18(13-14)20(26)16(3)25-21(27)23(24-22(25)28)12-6-8-17-7-4-5-9-19(17)23/h4-5,7,9-11,13,16H,6,8,12H2,1-3H3,(H,24,28)/t16-,23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.3915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.456 g/mol  logS: -6.07755  SlogP: 3.96971  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0804612  Sterimol/B1: 2.26071  Sterimol/B2: 2.6017  Sterimol/B3: 5.54867
  Sterimol/B4: 7.21652  Sterimol/L: 16.9512 
 
 Surface and Volume Properties
  Accessible surface: 620.038  Positive charged surface: 370.748  Negative charged surface: 249.29  Volume: 364.625
  Hydrophobic surface: 520.355  Hydrophilic surface: 99.683
 
 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.