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ASINEX-ZINC01337799

 MMsINC code: MMs00238973
Type: Neutral
Formula: C15H20N2O4
SMILES:   o1c2cc(n(c2cc1)CC(=O)N(CC)CC)C(OCC)=O
InChI:   InChI=1/C15H20N2O4/c1-4-16(5-2)14(18)10-17-11-7-8-21-13(11)9-12(17)15(19)20-6-3/h7-9H,4-6,10H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.2828 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.335 g/mol  logS: -2.7191  SlogP: 2.5458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158585  Sterimol/B1: 2.46201  Sterimol/B2: 4.87379  Sterimol/B3: 5.57802
  Sterimol/B4: 5.95036  Sterimol/L: 12.4083 
 
 Surface and Volume Properties
  Accessible surface: 510.722  Positive charged surface: 329.036  Negative charged surface: 181.686  Volume: 285.625
  Hydrophobic surface: 390.766  Hydrophilic surface: 119.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.