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PUBCHEM-ZINC03069677

 MMsINC code: MMs02989097
Type: Neutral
Formula: C18H29NO4
SMILES:   O(C)c1c(OC)cc(cc1OC)C(=O)NCC(CCCC)CC
InChI:   InChI=1/C18H29NO4/c1-6-8-9-13(7-2)12-19-18(20)14-10-15(21-3)17(23-5)16(11-14)22-4/h10-11,13H,6-9,12H2,1-5H3,(H,19,20)/t13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.1665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.433 g/mol  logS: -4.47378  SlogP: 3.6586  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0492852  Sterimol/B1: 2.50865  Sterimol/B2: 5.21919  Sterimol/B3: 5.4127
  Sterimol/B4: 5.70741  Sterimol/L: 19.0085 
 
 Surface and Volume Properties
  Accessible surface: 638.429  Positive charged surface: 510.742  Negative charged surface: 127.687  Volume: 339.125
  Hydrophobic surface: 536.987  Hydrophilic surface: 101.442
 
 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.