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ENAMINE-ZINC03488975

 MMsINC code: MMs01470074
Type: Neutral
Formula: C21H22N2O5
SMILES:   O(C(=O)c1ccc(cc1)C(=O)c1ccccc1)CC(=O)NC(=O)NC(C)(C)C
InChI:   InChI=1/C21H22N2O5/c1-21(2,3)23-20(27)22-17(24)13-28-19(26)16-11-9-15(10-12-16)18(25)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H2,22,23,24,27)

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Potential Energy
Epot(MMFF94)=103.613 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.416 g/mol  logS: -5.22215  SlogP: 2.6987  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0186583  Sterimol/B1: 2.51022  Sterimol/B2: 3.62746  Sterimol/B3: 4.58406
  Sterimol/B4: 7.40502  Sterimol/L: 21.4191 
 
 Surface and Volume Properties
  Accessible surface: 683.464  Positive charged surface: 406.463  Negative charged surface: 277.001  Volume: 362.125
  Hydrophobic surface: 473.432  Hydrophilic surface: 210.032
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.