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ENAMINE-ZINC02661693

 MMsINC code: MMs01282608
Type: Neutral
Formula: C20H25N3O5
SMILES:   O1c2cc(ccc2OC1)CNC(=O)CN1C(=O)C2(NC1=O)CCCCCCC2
InChI:   InChI=1/C20H25N3O5/c24-17(21-11-14-6-7-15-16(10-14)28-13-27-15)12-23-18(25)20(22-19(23)26)8-4-2-1-3-5-9-20/h6-7,10H,1-5,8-9,11-13H2,(H,21,24)(H,22,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.616 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.436 g/mol  logS: -4.43164  SlogP: 2.3328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0485098  Sterimol/B1: 2.78835  Sterimol/B2: 3.37943  Sterimol/B3: 4.36667
  Sterimol/B4: 6.54734  Sterimol/L: 20.0971 
 
 Surface and Volume Properties
  Accessible surface: 641.815  Positive charged surface: 441.757  Negative charged surface: 200.058  Volume: 353.5
  Hydrophobic surface: 451.383  Hydrophilic surface: 190.432
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.