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PUBCHEM-ZINC06394206

 MMsINC code: MMs03704806
Type: Neutral
Formula: C16H24N2O5
SMILES:   O1C(CC(=O)C=C1C(=O)NC(C(=O)NC1CCCC1)CO)(C)C
InChI:   InChI=1/C16H24N2O5/c1-16(2)8-11(20)7-13(23-16)15(22)18-12(9-19)14(21)17-10-5-3-4-6-10/h7,10,12,19H,3-6,8-9H2,1-2H3,(H,17,21)(H,18,22)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=61.9611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.377 g/mol  logS: -2.29782  SlogP: 0.1742  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0701356  Sterimol/B1: 2.55546  Sterimol/B2: 3.87412  Sterimol/B3: 4.1234
  Sterimol/B4: 5.60741  Sterimol/L: 17.4789 
 
 Surface and Volume Properties
  Accessible surface: 587.848  Positive charged surface: 396.303  Negative charged surface: 191.546  Volume: 308.625
  Hydrophobic surface: 388.282  Hydrophilic surface: 199.566
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.