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ENAMINE-ZINC03247286

 MMsINC code: MMs01328586
Type: Neutral
Formula: C24H24N2O5
SMILES:   O(CC)c1ccccc1NC(=O)C(OC(=O)c1cccnc1OCC)c1ccccc1
InChI:   InChI=1/C24H24N2O5/c1-3-29-20-15-9-8-14-19(20)26-22(27)21(17-11-6-5-7-12-17)31-24(28)18-13-10-16-25-23(18)30-4-2/h5-16,21H,3-4H2,1-2H3,(H,26,27)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.465 g/mol  logS: -5.33924  SlogP: 4.5113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111712  Sterimol/B1: 3.5854  Sterimol/B2: 4.34674  Sterimol/B3: 6.04728
  Sterimol/B4: 8.56816  Sterimol/L: 17.5335 
 
 Surface and Volume Properties
  Accessible surface: 742.774  Positive charged surface: 496.183  Negative charged surface: 246.591  Volume: 405.75
  Hydrophobic surface: 629.168  Hydrophilic surface: 113.606
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.