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IBS-ZINC05452079

 MMsINC code: MMs01948829
Type: Neutral
Formula: C19H23N3O5
SMILES:   O1CC2N(CC1)c1c(CC23C(=O)N(CCCOC)C(=O)NC3=O)cccc1
InChI:   InChI=1/C19H23N3O5/c1-26-9-4-7-22-17(24)19(16(23)20-18(22)25)11-13-5-2-3-6-14(13)21-8-10-27-12-15(19)21/h2-3,5-6,15H,4,7-12H2,1H3,(H,20,23,25)/t15-,19+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.9373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.409 g/mol  logS: -2.59435  SlogP: 0.54917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0781589  Sterimol/B1: 2.5929  Sterimol/B2: 4.78532  Sterimol/B3: 5.35018
  Sterimol/B4: 6.14069  Sterimol/L: 17.1769 
 
 Surface and Volume Properties
  Accessible surface: 583.766  Positive charged surface: 427.788  Negative charged surface: 155.978  Volume: 337.625
  Hydrophobic surface: 456.076  Hydrophilic surface: 127.69
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.