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ENAMINE-ZINC03381706

 MMsINC code: MMs01407342
Type: Neutral
Formula: C20H23N3O6
SMILES:   O=C1N(CC(OCC(=O)NC(=O)NCc2ccccc2)=O)C(=O)C2C1CCCC2
InChI:   InChI=1/C20H23N3O6/c24-16(22-20(28)21-10-13-6-2-1-3-7-13)12-29-17(25)11-23-18(26)14-8-4-5-9-15(14)19(23)27/h1-3,6-7,14-15H,4-5,8-12H2,(H2,21,22,24,28)/t14-,15+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.5264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.419 g/mol  logS: -3.86622  SlogP: 0.9972  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0267098  Sterimol/B1: 2.52904  Sterimol/B2: 3.31083  Sterimol/B3: 4.66878
  Sterimol/B4: 4.83089  Sterimol/L: 23.0187 
 
 Surface and Volume Properties
  Accessible surface: 698.036  Positive charged surface: 450.385  Negative charged surface: 247.651  Volume: 364
  Hydrophobic surface: 482.753  Hydrophilic surface: 215.283
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.