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PUBCHEM-ZINC06706880

 MMsINC code: MMs03843733
Type: Neutral
Formula: C15H28N2O3
SMILES:   O(C(=O)C(NC(=O)N1CCCCC1CC)CC(C)C)C
InChI:   InChI=1/C15H28N2O3/c1-5-12-8-6-7-9-17(12)15(19)16-13(10-11(2)3)14(18)20-4/h11-13H,5-10H2,1-4H3,(H,16,19)/t12-,13-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.4476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.4 g/mol  logS: -2.74906  SlogP: 2.5482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14233  Sterimol/B1: 2.28523  Sterimol/B2: 3.03202  Sterimol/B3: 5.4565
  Sterimol/B4: 7.09902  Sterimol/L: 13.8468 
 
 Surface and Volume Properties
  Accessible surface: 549.06  Positive charged surface: 432.451  Negative charged surface: 116.609  Volume: 296
  Hydrophobic surface: 442.748  Hydrophilic surface: 106.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.