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CHEMSTAR-ZINC04016466

 MMsINC code: MMs01087494
Type: Neutral
Formula: C26H27N3O5
SMILES:   Oc1ccc(cc1)CC(NC(=O)C(NC(OCc1ccccc1)=O)Cc1ccccc1)C(=O)N
InChI:   InChI=1/C26H27N3O5/c27-24(31)22(15-19-11-13-21(30)14-12-19)28-25(32)23(16-18-7-3-1-4-8-18)29-26(33)34-17-20-9-5-2-6-10-20/h1-14,22-23,30H,15-17H2,(H2,27,31)(H,28,32)(H,29,33)/t22-,23+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 461.518 g/mol  logS: -5.35575  SlogP: 2.70884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117705  Sterimol/B1: 2.18231  Sterimol/B2: 3.25012  Sterimol/B3: 6.65828
  Sterimol/B4: 10.1827  Sterimol/L: 17.9901 
 
 Surface and Volume Properties
  Accessible surface: 756.107  Positive charged surface: 444.108  Negative charged surface: 311.999  Volume: 439.5
  Hydrophobic surface: 537.754  Hydrophilic surface: 218.353
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.