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ENAMINE-ZINC03490129

 MMsINC code: MMs01470814
Type: Neutral
Formula: C24H30N2O4
SMILES:   O(C(=O)CC(NC(=O)c1ccccc1)c1ccccc1)CC(=O)N(C(C)C)C(C)C
InChI:   InChI=1/C24H30N2O4/c1-17(2)26(18(3)4)22(27)16-30-23(28)15-21(19-11-7-5-8-12-19)25-24(29)20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3,(H,25,29)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.514 g/mol  logS: -4.96442  SlogP: 3.8319  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0792399  Sterimol/B1: 3.76827  Sterimol/B2: 4.46738  Sterimol/B3: 5.26638
  Sterimol/B4: 8.33153  Sterimol/L: 17.0682 
 
 Surface and Volume Properties
  Accessible surface: 727.955  Positive charged surface: 430.155  Negative charged surface: 297.8  Volume: 414.25
  Hydrophobic surface: 570.871  Hydrophilic surface: 157.084
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.