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PUBCHEM-ZINC00657100

 MMsINC code: MMs02721796
Type: Neutral
Formula: C24H30N2O6
SMILES:   O(C)c1cc(cc(OC)c1)C(=O)NC1CCC(NC(=O)c2cc(OC)cc(OC)c2)CC1
InChI:   InChI=1/C24H30N2O6/c1-29-19-9-15(10-20(13-19)30-2)23(27)25-17-5-7-18(8-6-17)26-24(28)16-11-21(31-3)14-22(12-16)32-4/h9-14,17-18H,5-8H2,1-4H3,(H,25,27)(H,26,28)/t17-,18-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.512 g/mol  logS: -4.62892  SlogP: 3.192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0350285  Sterimol/B1: 2.06244  Sterimol/B2: 3.06942  Sterimol/B3: 5.61205
  Sterimol/B4: 6.05503  Sterimol/L: 23.4358 
 
 Surface and Volume Properties
  Accessible surface: 771.099  Positive charged surface: 587.703  Negative charged surface: 183.395  Volume: 422.625
  Hydrophobic surface: 659.108  Hydrophilic surface: 111.991
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.