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PUBCHEM-ZINC06761825

 MMsINC code: MMs03855153
Type: Neutral
Formula: C23H38N2O5
SMILES:   O1CC(NC(=O)C(C\C=C/CCCCC1=O)CC(=O)N1CCCC1CO)C(C)(C)C
InChI:   InChI=1/C23H38N2O5/c1-23(2,3)19-16-30-21(28)12-8-6-4-5-7-10-17(22(29)24-19)14-20(27)25-13-9-11-18(25)15-26/h5,7,17-19,26H,4,6,8-16H2,1-3H3,(H,24,29)/b7-5-/t17-,18-,19+/m1/s1

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Potential Energy
Epot(MMFF94)=148.292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.566 g/mol  logS: -2.48948  SlogP: 2.5704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171003  Sterimol/B1: 2.95598  Sterimol/B2: 4.12204  Sterimol/B3: 5.43776
  Sterimol/B4: 8.41532  Sterimol/L: 14.9805 
 
 Surface and Volume Properties
  Accessible surface: 623.552  Positive charged surface: 465.556  Negative charged surface: 157.995  Volume: 423.875
  Hydrophobic surface: 474.273  Hydrophilic surface: 149.279
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.