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PUBCHEM-ZINC06380760

 MMsINC code: MMs03694734
Type: Neutral
Formula: C21H32N2O6
SMILES:   O(C)c1c(OC)cc(cc1OC)C(=O)NC(C(=O)NC1CCCCCCC1)CO
InChI:   InChI=1/C21H32N2O6/c1-27-17-11-14(12-18(28-2)19(17)29-3)20(25)23-16(13-24)21(26)22-15-9-7-5-4-6-8-10-15/h11-12,15-16,24H,4-10,13H2,1-3H3,(H,22,26)(H,23,25)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=164.52 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.495 g/mol  logS: -4.15376  SlogP: 2.0322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0694785  Sterimol/B1: 2.4828  Sterimol/B2: 3.42084  Sterimol/B3: 5.72742
  Sterimol/B4: 7.94954  Sterimol/L: 18.3662 
 
 Surface and Volume Properties
  Accessible surface: 711.656  Positive charged surface: 568.288  Negative charged surface: 143.368  Volume: 398.25
  Hydrophobic surface: 585.945  Hydrophilic surface: 125.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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: 1
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Ions/Tautomers related molecules: no related molecules available.