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ENAMINE-ZINC05443635

 MMsINC code: MMs01613300
Type: Neutral
Formula: C18H29NO4
SMILES:   O(C)c1c(OC)cc(cc1OC)CC(=O)NC(CCC(C)C)C
InChI:   InChI=1/C18H29NO4/c1-12(2)7-8-13(3)19-17(20)11-14-9-15(21-4)18(23-6)16(10-14)22-5/h9-10,12-13H,7-8,11H2,1-6H3,(H,19,20)/t13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.0393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.433 g/mol  logS: -4.14547  SlogP: 3.19577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0420252  Sterimol/B1: 2.51988  Sterimol/B2: 4.0643  Sterimol/B3: 5.62912
  Sterimol/B4: 5.86921  Sterimol/L: 18.1866 
 
 Surface and Volume Properties
  Accessible surface: 649.92  Positive charged surface: 531.532  Negative charged surface: 118.388  Volume: 338.25
  Hydrophobic surface: 536.503  Hydrophilic surface: 113.417
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: no related molecules available.