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IBS-ZINC01241039

 MMsINC code: MMs01763141
Type: Neutral
Formula: C24H26N2O3
SMILES:   O(C)c1ccc(N(C(=O)C2CCCCC2)CC2=Cc3c(NC2=O)cccc3)cc1
InChI:   InChI=1/C24H26N2O3/c1-29-21-13-11-20(12-14-21)26(24(28)17-7-3-2-4-8-17)16-19-15-18-9-5-6-10-22(18)25-23(19)27/h5-6,9-15,17H,2-4,7-8,16H2,1H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.483 g/mol  logS: -6.02012  SlogP: 4.6442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159524  Sterimol/B1: 2.40074  Sterimol/B2: 2.64241  Sterimol/B3: 5.81966
  Sterimol/B4: 10.3705  Sterimol/L: 15.5587 
 
 Surface and Volume Properties
  Accessible surface: 648.599  Positive charged surface: 458.615  Negative charged surface: 189.984  Volume: 385.875
  Hydrophobic surface: 568.032  Hydrophilic surface: 80.567
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs01763142
IBS-ZINC01241039