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TIMTEC-ZINC05224853

 MMsINC code: MMs03948055
Type: Neutral
Formula: C26H45NO9
SMILES:   O1C(COC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C(OC(=
O)C(C)(C)C)C1N
InChI:   InChI=1/C26H45NO9/c1-23(2,3)19(28)32-13-14-15(34-20(29)24(4,5)6)16(35-21(30)25(7,8)9)17(18(27)33-14)36-22(31)26(10,11)12/h14-18H,13,27H2,1-12H3/t14-,15+,16+,17-,18-/m1/s1

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Potential Energy
Epot(MMFF94)=98.7568 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 515.644 g/mol  logS: -3.53747  SlogP: 3.133  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156988  Sterimol/B1: 4.52376  Sterimol/B2: 5.42423  Sterimol/B3: 5.63266
  Sterimol/B4: 7.32653  Sterimol/L: 17.777 
 
 Surface and Volume Properties
  Accessible surface: 811.16  Positive charged surface: 556.987  Negative charged surface: 254.173  Volume: 511.375
  Hydrophobic surface: 508.88  Hydrophilic surface: 302.28
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.