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ENAMINE-ZINC03321665

 MMsINC code: MMs01370500
Type: Neutral
Formula: C24H24N2O4
SMILES:   O(C(=O)C(NC(=O)c1ccccc1)C(C)C)CC(=O)Nc1c2c(ccc1)cccc2
InChI:   InChI=1/C24H24N2O4/c1-16(2)22(26-23(28)18-10-4-3-5-11-18)24(29)30-15-21(27)25-20-14-8-12-17-9-6-7-13-19(17)20/h3-14,16,22H,15H2,1-2H3,(H,25,27)(H,26,28)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -6.54424  SlogP: 3.7761  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0288667  Sterimol/B1: 2.17974  Sterimol/B2: 2.41482  Sterimol/B3: 4.67135
  Sterimol/B4: 7.33422  Sterimol/L: 21.5758 
 
 Surface and Volume Properties
  Accessible surface: 699.323  Positive charged surface: 401.215  Negative charged surface: 286.652  Volume: 390.125
  Hydrophobic surface: 578.194  Hydrophilic surface: 121.129
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.