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PUBCHEM-ZINC06394344

 MMsINC code: MMs03704881
Type: Neutral
Formula: C19H30N2O5
SMILES:   O1CC(NC(=O)C(C\C=C\CCC1=O)CC(=O)N1CCCC1CO)(C)C
InChI:   InChI=1/C19H30N2O5/c1-19(2)13-26-17(24)9-5-3-4-7-14(18(25)20-19)11-16(23)21-10-6-8-15(21)12-22/h3-4,14-15,22H,5-13H2,1-2H3,(H,20,25)/b4-3+/t14-,15-/m1/s1

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Potential Energy
Epot(MMFF94)=72.0096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.458 g/mol  logS: -1.18094  SlogP: 1.1541  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108835  Sterimol/B1: 2.52234  Sterimol/B2: 3.27754  Sterimol/B3: 5.38808
  Sterimol/B4: 8.1297  Sterimol/L: 15.5086 
 
 Surface and Volume Properties
  Accessible surface: 615.983  Positive charged surface: 473.372  Negative charged surface: 142.611  Volume: 359.875
  Hydrophobic surface: 460.357  Hydrophilic surface: 155.626
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.