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CHEMDIV-ZINC04115441

 MMsINC code: MMs00927500
Type: Neutral
Formula: C24H35N3O4
SMILES:   O1CCCC1CN(C(CC)(C(=O)NC1CCCC1)C)C(=O)CNC(=O)c1ccccc1
InChI:   InChI=1/C24H35N3O4/c1-3-24(2,23(30)26-19-12-7-8-13-19)27(17-20-14-9-15-31-20)21(28)16-25-22(29)18-10-5-4-6-11-18/h4-6,10-11,19-20H,3,7-9,12-17H2,1-2H3,(H,25,29)(H,26,30)/t20-,24+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=183.452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.561 g/mol  logS: -4.27729  SlogP: 2.6515  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.328016  Sterimol/B1: 2.45545  Sterimol/B2: 5.69479  Sterimol/B3: 6.03493
  Sterimol/B4: 8.92498  Sterimol/L: 16.0274 
 
 Surface and Volume Properties
  Accessible surface: 701.198  Positive charged surface: 482.796  Negative charged surface: 218.402  Volume: 429.5
  Hydrophobic surface: 608.806  Hydrophilic surface: 92.392
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.