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NCID-ZINC05546197

 MMsINC code: MMs02473980
Type: Neutral
Formula: C26H33NO5
SMILES:   O(C)c1ccc(cc1)C(C(=O)c1ccc(OC)cc1)C(=O)C(=O)N(CCCC)CCCC
InChI:   InChI=1/C26H33NO5/c1-5-7-17-27(18-8-6-2)26(30)25(29)23(19-9-13-21(31-3)14-10-19)24(28)20-11-15-22(32-4)16-12-20/h9-16,23H,5-8,17-18H2,1-4H3/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 439.552 g/mol  logS: -5.98081  SlogP: 4.6682  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.249197  Sterimol/B1: 2.57427  Sterimol/B2: 4.96232  Sterimol/B3: 7.89981
  Sterimol/B4: 9.28104  Sterimol/L: 18.2657 
 
 Surface and Volume Properties
  Accessible surface: 787.104  Positive charged surface: 574.028  Negative charged surface: 213.076  Volume: 446.5
  Hydrophobic surface: 678.405  Hydrophilic surface: 108.699
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules


MMs02473981
NCID-ZINC05546197


MMs02473983
NCID-ZINC05546197


MMs02473982
NCID-ZINC05546197


MMs02473984
NCID-ZINC05546197