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ENAMINE-ZINC03476297

 MMsINC code: MMs01463701
Type: Neutral
Formula: C20H22N2O5
SMILES:   O(C)c1ccc(cc1)CNC(=O)COC(=O)C(NC(=O)c1ccccc1)C
InChI:   InChI=1/C20H22N2O5/c1-14(22-19(24)16-6-4-3-5-7-16)20(25)27-13-18(23)21-12-15-8-10-17(26-2)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,23)(H,22,24)/t14-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.9442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.405 g/mol  logS: -4.25724  SlogP: 1.9395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0271351  Sterimol/B1: 2.18704  Sterimol/B2: 2.34475  Sterimol/B3: 5.5589
  Sterimol/B4: 7.02082  Sterimol/L: 23.2089 
 
 Surface and Volume Properties
  Accessible surface: 692.918  Positive charged surface: 438.589  Negative charged surface: 254.328  Volume: 356.125
  Hydrophobic surface: 539.571  Hydrophilic surface: 153.347
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.