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PUBCHEM-ZINC06603405

 MMsINC code: MMs03816947
Type: Neutral
Formula: C17H23NO4
SMILES:   O(C)c1c(OC)cc(cc1OC)\C=C/C(=O)NC1CCCC1
InChI:   InChI=1/C17H23NO4/c1-20-14-10-12(11-15(21-2)17(14)22-3)8-9-16(19)18-13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3,(H,18,19)/b9-8-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.852 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.374 g/mol  logS: -3.14389  SlogP: 2.7844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100665  Sterimol/B1: 2.55388  Sterimol/B2: 3.33998  Sterimol/B3: 4.55965
  Sterimol/B4: 7.70481  Sterimol/L: 15.2407 
 
 Surface and Volume Properties
  Accessible surface: 574.07  Positive charged surface: 464.876  Negative charged surface: 109.194  Volume: 305.875
  Hydrophobic surface: 533.497  Hydrophilic surface: 40.573
 
 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.