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IFLAB-ZINC01777675

 MMsINC code: MMs01985728
Type: Neutral
Formula: C20H25NO4
SMILES:   O(C)c1cc(NC(=O)CCCOc2ccc(cc2)CC)ccc1OC
InChI:   InChI=1/C20H25NO4/c1-4-15-7-10-17(11-8-15)25-13-5-6-20(22)21-16-9-12-18(23-2)19(14-16)24-3/h7-12,14H,4-6,13H2,1-3H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.423 g/mol  logS: -4.60528  SlogP: 4.06387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0149581  Sterimol/B1: 2.33322  Sterimol/B2: 4.0534  Sterimol/B3: 4.37643
  Sterimol/B4: 5.19269  Sterimol/L: 22.2519 
 
 Surface and Volume Properties
  Accessible surface: 674.857  Positive charged surface: 497.677  Negative charged surface: 177.18  Volume: 346.125
  Hydrophobic surface: 583.895  Hydrophilic surface: 90.962
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.