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ENAMINE-ZINC03360935

 MMsINC code: MMs01395836
Type: Neutral
Formula: C24H30N2O4
SMILES:   O(C(=O)CNC(=O)c1cc(C)c(cc1)C)CCCC(=O)Nc1c(cc(cc1C)C)C
InChI:   InChI=1/C24H30N2O4/c1-15-11-18(4)23(19(5)12-15)26-21(27)7-6-10-30-22(28)14-25-24(29)20-9-8-16(2)17(3)13-20/h8-9,11-13H,6-7,10,14H2,1-5H3,(H,25,29)(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.659 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.514 g/mol  logS: -5.762  SlogP: 3.9206  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0151275  Sterimol/B1: 3.14754  Sterimol/B2: 3.43944  Sterimol/B3: 4.03593
  Sterimol/B4: 5.23032  Sterimol/L: 25.3542 
 
 Surface and Volume Properties
  Accessible surface: 769.833  Positive charged surface: 498.217  Negative charged surface: 271.617  Volume: 415.375
  Hydrophobic surface: 647.012  Hydrophilic surface: 122.821
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.