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CHEMDIV-ZINC05185285

 MMsINC code: MMs00994621
Type: Neutral
Formula: C18H34N2O5
SMILES:   O(C(=O)C(NC(=O)C(NC(OC(C)(C)C)=O)C(C)C)CC(C)C)CC
InChI:   InChI=1/C18H34N2O5/c1-9-24-16(22)13(10-11(2)3)19-15(21)14(12(4)5)20-17(23)25-18(6,7)8/h11-14H,9-10H2,1-8H3,(H,19,21)(H,20,23)/t13-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=78.4496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.479 g/mol  logS: -4.01968  SlogP: 2.6297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114825  Sterimol/B1: 2.52482  Sterimol/B2: 3.93815  Sterimol/B3: 5.06345
  Sterimol/B4: 8.16489  Sterimol/L: 18.378 
 
 Surface and Volume Properties
  Accessible surface: 655.104  Positive charged surface: 470.292  Negative charged surface: 184.812  Volume: 368.375
  Hydrophobic surface: 431.239  Hydrophilic surface: 223.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.