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NCID-ZINC04777839

 MMsINC code: MMs02405053
Type: Neutral
Formula: C23H27NO7
SMILES:   O(C)c1cc(ccc1OC)C1c2cc(OC)c(OC)cc2CC(C(OC)=O)C1C(=O)N
InChI:   InChI=1/C23H27NO7/c1-27-16-7-6-12(9-17(16)28-2)20-14-11-19(30-4)18(29-3)10-13(14)8-15(23(26)31-5)21(20)22(24)25/h6-7,9-11,15,20-21H,8H2,1-5H3,(H2,24,25)/t15-,20+,21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=143.751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.469 g/mol  logS: -3.64745  SlogP: 2.29967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.209842  Sterimol/B1: 2.2342  Sterimol/B2: 6.26046  Sterimol/B3: 7.11312
  Sterimol/B4: 7.30473  Sterimol/L: 15.6019 
 
 Surface and Volume Properties
  Accessible surface: 685.569  Positive charged surface: 587.287  Negative charged surface: 98.2825  Volume: 394.5
  Hydrophobic surface: 563.975  Hydrophilic surface: 121.594
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.