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ASINEX-ZINC00280744

MMsINC code: MMs00107121

Type: Neutral
Formula: C16H28N2O4
SMILES:   OC(C(O)C(=O)NC1CCCCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C16H28N2O4/c19-13(15(21)17-11-7-3-1-4-8-11)14(20)16(22)18-12-9-5-2-6-10-12/h11-14,19-20H,1-10H2,(H,17,21)(H,18,22)/t13-,14-/m0/s1

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=43.6456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.41 g/mol  logS: -2.47288  SlogP: 0.606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0584922  Sterimol/B1: 2.95221  Sterimol/B2: 3.45243  Sterimol/B3: 4.70304
  Sterimol/B4: 4.96265  Sterimol/L: 18.2337 
 
 Surface and Volume Properties
  Accessible surface: 580.622  Positive charged surface: 435.355  Negative charged surface: 145.267  Volume: 310
  Hydrophobic surface: 441.558  Hydrophilic surface: 139.064
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.