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PUBCHEM-ZINC05161519

 MMsINC code: MMs03216962
Type: Neutral
Formula: C18H19NO7
SMILES:   O(C)C1=C2N(c3c(c(O)c(OC)c(OC)c3OC)C(O)=C2C=CC1=O)C
InChI:   InChI=1/C18H19NO7/c1-19-11-8(6-7-9(20)15(11)23-2)13(21)10-12(19)16(24-3)18(26-5)17(25-4)14(10)22/h6-7,21-22H,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=237.254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.35 g/mol  logS: -3.05716  SlogP: 2.1338  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0468618  Sterimol/B1: 2.49462  Sterimol/B2: 3.58648  Sterimol/B3: 3.75241
  Sterimol/B4: 7.34853  Sterimol/L: 14.7652 
 
 Surface and Volume Properties
  Accessible surface: 546.125  Positive charged surface: 432.384  Negative charged surface: 108.455  Volume: 321.625
  Hydrophobic surface: 426.484  Hydrophilic surface: 119.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 7  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.