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IBS-ZINC02205232

 MMsINC code: MMs01802183
Type: Neutral
Formula: C24H27N3O6
SMILES:   O(C)c1c(OC)cc(cc1OC)C1N(CCCOC)C(=O)c2n[nH]c(c12)-c1ccccc1O
InChI:   InChI=1/C24H27N3O6/c1-30-11-7-10-27-22(14-12-17(31-2)23(33-4)18(13-14)32-3)19-20(25-26-21(19)24(27)29)15-8-5-6-9-16(15)28/h5-6,8-9,12-13,22,28H,7,10-11H2,1-4H3,(H,25,26)/t22-/m0/s1

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Potential Energy
Epot(MMFF94)=163.077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 453.495 g/mol  logS: -4.43306  SlogP: 3.4853  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.331353  Sterimol/B1: 3.56565  Sterimol/B2: 4.59603  Sterimol/B3: 7.8114
  Sterimol/B4: 8.77468  Sterimol/L: 16.5137 
 
 Surface and Volume Properties
  Accessible surface: 717.903  Positive charged surface: 562.814  Negative charged surface: 155.089  Volume: 425
  Hydrophobic surface: 563.736  Hydrophilic surface: 154.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 8  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: no related molecules available.