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PUBCHEM-ZINC06175745

 MMsINC code: MMs03581867
Type: Neutral
Formula: C18H32N2O5
SMILES:   O(CC(=O)N1CC(CC(C1)C)C)CC(=O)NC(CC(C)C)C(OC)=O
InChI:   InChI=1/C18H32N2O5/c1-12(2)6-15(18(23)24-5)19-16(21)10-25-11-17(22)20-8-13(3)7-14(4)9-20/h12-15H,6-11H2,1-5H3,(H,19,21)/t13-,14+,15-/m0/s1

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Potential Energy
Epot(MMFF94)=93.5345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.463 g/mol  logS: -3.09761  SlogP: 1.2114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0508104  Sterimol/B1: 2.0769  Sterimol/B2: 2.77132  Sterimol/B3: 5.20021
  Sterimol/B4: 7.26509  Sterimol/L: 19.6124 
 
 Surface and Volume Properties
  Accessible surface: 682.082  Positive charged surface: 527.652  Negative charged surface: 154.43  Volume: 358.75
  Hydrophobic surface: 496.321  Hydrophilic surface: 185.761
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.