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NANOSIN-ZINC01513348

 MMsINC code: MMs02197753
Type: Neutral
Formula: C23H24N2O4
SMILES:   O(C)c1cc(ccc1)C(O)(C(=O)NNc1ccccc1C)c1cc(OC)ccc1
InChI:   InChI=1/C23H24N2O4/c1-16-8-4-5-13-21(16)24-25-22(26)23(27,17-9-6-11-19(14-17)28-2)18-10-7-12-20(15-18)29-3/h4-15,24,27H,1-3H3,(H,25,26)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=165.922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.455 g/mol  logS: -4.87875  SlogP: 3.70292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200612  Sterimol/B1: 2.23614  Sterimol/B2: 3.38912  Sterimol/B3: 6.86019
  Sterimol/B4: 8.6534  Sterimol/L: 17.009 
 
 Surface and Volume Properties
  Accessible surface: 691.35  Positive charged surface: 446.879  Negative charged surface: 244.472  Volume: 382.375
  Hydrophobic surface: 615.198  Hydrophilic surface: 76.152
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.