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PUBCHEM-ZINC05361823

 MMsINC code: MMs03248854
Type: Neutral
Formula: C24H30N2O4
SMILES:   O(C)c1ccccc1C(=O)NCC1CC(CCC1)CNC(=O)c1ccccc1OC
InChI:   InChI=1/C24H30N2O4/c1-29-21-12-5-3-10-19(21)23(27)25-15-17-8-7-9-18(14-17)16-26-24(28)20-11-4-6-13-22(20)30-2/h3-6,10-13,17-18H,7-9,14-16H2,1-2H3,(H,25,27)(H,26,28)/t17-,18+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.27 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.514 g/mol  logS: -4.99427  SlogP: 3.67  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0165381  Sterimol/B1: 2.53728  Sterimol/B2: 2.56806  Sterimol/B3: 3.74834
  Sterimol/B4: 7.16636  Sterimol/L: 21.9652 
 
 Surface and Volume Properties
  Accessible surface: 743.357  Positive charged surface: 540.66  Negative charged surface: 202.698  Volume: 412.75
  Hydrophobic surface: 667.239  Hydrophilic surface: 76.118
 
 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.