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ANALYTICONDISCOVERY-ZINC04236589

 MMsINC code: MMs00032468
Type: Neutral
Formula: C26H44N2O5
SMILES:   O(C(=O)NC1CCCCC1)C1CCC2(C(CCC(O)C2CC(=O)N2CCCC2)C1(CO)C)C
InChI:   InChI=1/C26H44N2O5/c1-25-13-12-22(33-24(32)27-18-8-4-3-5-9-18)26(2,17-29)21(25)11-10-20(30)19(25)16-23(31)28-14-6-7-15-28/h18-22,29-30H,3-17H2,1-2H3,(H,27,32)/t19-,20-,21-,22-,25+,26+/m1/s1

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Potential Energy
Epot(MMFF94)=168.662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 464.647 g/mol  logS: -3.53394  SlogP: 3.6122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0614605  Sterimol/B1: 2.71424  Sterimol/B2: 3.88371  Sterimol/B3: 5.66362
  Sterimol/B4: 6.48812  Sterimol/L: 22.3756 
 
 Surface and Volume Properties
  Accessible surface: 751.127  Positive charged surface: 596.498  Negative charged surface: 154.629  Volume: 461.375
  Hydrophobic surface: 585.721  Hydrophilic surface: 165.406
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.