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PUBCHEM-ZINC06200945

 MMsINC code: MMs03608444
Type: Neutral
Formula: C19H32N2O5
SMILES:   O1CC(NC(=O)C(C\C=C/CCCC1=O)CC(=O)NC(CO)C)C(C)C
InChI:   InChI=1/C19H32N2O5/c1-13(2)16-12-26-18(24)9-7-5-4-6-8-15(19(25)21-16)10-17(23)20-14(3)11-22/h4,6,13-16,22H,5,7-12H2,1-3H3,(H,20,23)(H,21,25)/b6-4-/t14-,15+,16-/m0/s1

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Potential Energy
Epot(MMFF94)=83.4996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.474 g/mol  logS: -1.65331  SlogP: 1.3039  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.233883  Sterimol/B1: 3.22144  Sterimol/B2: 3.78542  Sterimol/B3: 5.69833
  Sterimol/B4: 7.82135  Sterimol/L: 13.7691 
 
 Surface and Volume Properties
  Accessible surface: 588.877  Positive charged surface: 428.131  Negative charged surface: 160.746  Volume: 367.125
  Hydrophobic surface: 394.726  Hydrophilic surface: 194.151
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.