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CHEMDIV-ZINC06876294

 MMsINC code: MMs01051424
Type: Neutral
Formula: C20H24N2O5
SMILES:   o1nc(cc1-c1cc2OCOc2cc1)COCC(=O)N1C(CCCC1C)C
InChI:   InChI=1/C20H24N2O5/c1-13-4-3-5-14(2)22(13)20(23)11-24-10-16-9-18(27-21-16)15-6-7-17-19(8-15)26-12-25-17/h6-9,13-14H,3-5,10-12H2,1-2H3/t13-,14+

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Potential Energy
Epot(MMFF94)=207.029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.421 g/mol  logS: -4.12578  SlogP: 3.6428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.016586  Sterimol/B1: 2.47263  Sterimol/B2: 2.70701  Sterimol/B3: 3.60638
  Sterimol/B4: 7.74301  Sterimol/L: 20.4582 
 
 Surface and Volume Properties
  Accessible surface: 639.373  Positive charged surface: 438.181  Negative charged surface: 201.192  Volume: 344.875
  Hydrophobic surface: 494.891  Hydrophilic surface: 144.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.