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ENAMINE-ZINC04477352

 MMsINC code: MMs01540464
Type: Neutral
Formula: C23H27N3O4
SMILES:   O(CC)c1ccc(cc1)CN(C(=O)CN1C(=O)C(NC1=O)(CC)c1ccccc1)C
InChI:   InChI=1/C23H27N3O4/c1-4-23(18-9-7-6-8-10-18)21(28)26(22(29)24-23)16-20(27)25(3)15-17-11-13-19(14-12-17)30-5-2/h6-14H,4-5,15-16H2,1-3H3,(H,24,29)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.4732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.486 g/mol  logS: -4.54344  SlogP: 3.4789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123712  Sterimol/B1: 2.25685  Sterimol/B2: 4.55043  Sterimol/B3: 6.66545
  Sterimol/B4: 6.96439  Sterimol/L: 17.6047 
 
 Surface and Volume Properties
  Accessible surface: 701.175  Positive charged surface: 455.859  Negative charged surface: 245.316  Volume: 399.75
  Hydrophobic surface: 549.991  Hydrophilic surface: 151.184
 
 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.