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PUBCHEM-ZINC06469177

 MMsINC code: MMs03750748
Type: Neutral
Formula: C19H30N2O5
SMILES:   O1CC(NC(=O)C(C\C=C\CCCC1=O)CC(=O)N1CCCC1CO)C
InChI:   InChI=1/C19H30N2O5/c1-14-13-26-18(24)9-5-3-2-4-7-15(19(25)20-14)11-17(23)21-10-6-8-16(21)12-22/h2,4,14-16,22H,3,5-13H2,1H3,(H,20,25)/b4-2+/t14-,15+,16+/m0/s1

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Potential Energy
Epot(MMFF94)=76.1228 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.458 g/mol  logS: -1.36895  SlogP: 1.1541  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16278  Sterimol/B1: 2.26349  Sterimol/B2: 4.32564  Sterimol/B3: 4.54083
  Sterimol/B4: 9.39118  Sterimol/L: 14.5694 
 
 Surface and Volume Properties
  Accessible surface: 604.17  Positive charged surface: 456.747  Negative charged surface: 147.423  Volume: 359.875
  Hydrophobic surface: 456.296  Hydrophilic surface: 147.874
 
 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.