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ENAMINE-ZINC06561015

 MMsINC code: MMs01674646
Type: Neutral
Formula: C24H28N2O4
SMILES:   O(C)c1cc2c(cc1C(=O)NCC(N(C)C)c1cc(OC)c(OC)cc1)cccc2
InChI:   InChI=1/C24H28N2O4/c1-26(2)20(18-10-11-21(28-3)23(14-18)30-5)15-25-24(27)19-12-16-8-6-7-9-17(16)13-22(19)29-4/h6-14,20H,15H2,1-5H3,(H,25,27)/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=162.929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.498 g/mol  logS: -5.22582  SlogP: 3.9938  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0652675  Sterimol/B1: 2.38745  Sterimol/B2: 4.49117  Sterimol/B3: 5.87239
  Sterimol/B4: 7.09595  Sterimol/L: 20.3544 
 
 Surface and Volume Properties
  Accessible surface: 706.204  Positive charged surface: 538.312  Negative charged surface: 157.066  Volume: 404.375
  Hydrophobic surface: 651.263  Hydrophilic surface: 54.941
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01674647
ENAMINE-ZINC06561015