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ASINEX-ZINC04186301

 MMsINC code: MMs00316046
Type: Neutral
Formula: C19H28N2O5
SMILES:   O(C(=O)C(NC(=O)C(NC(OCc1ccccc1)=O)CC(C)C)C)CC
InChI:   InChI=1/C19H28N2O5/c1-5-25-18(23)14(4)20-17(22)16(11-13(2)3)21-19(24)26-12-15-9-7-6-8-10-15/h6-10,13-14,16H,5,11-12H2,1-4H3,(H,20,22)(H,21,24)/t14-,16+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.0737 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.442 g/mol  logS: -4.40241  SlogP: 2.6617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0563818  Sterimol/B1: 3.04948  Sterimol/B2: 3.45919  Sterimol/B3: 4.60928
  Sterimol/B4: 8.01597  Sterimol/L: 21.0403 
 
 Surface and Volume Properties
  Accessible surface: 698.803  Positive charged surface: 464.685  Negative charged surface: 234.118  Volume: 362.375
  Hydrophobic surface: 505.888  Hydrophilic surface: 192.915
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.