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PUBCHEM-ZINC02930095

 MMsINC code: MMs02961464
Type: Neutral
Formula: C24H26N2O6
SMILES:   O(CCOc1ccc(cc1)C(CC)C)c1ccc(cc1OC)C=C1C(=O)NC(=O)NC1=O
InChI:   InChI=1/C24H26N2O6/c1-4-15(2)17-6-8-18(9-7-17)31-11-12-32-20-10-5-16(14-21(20)30-3)13-19-22(27)25-24(29)26-23(19)28/h5-10,13-15H,4,11-12H2,1-3H3,(H2,25,26,27,28,29)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.6827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.48 g/mol  logS: -6.77616  SlogP: 3.4159  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0262687  Sterimol/B1: 2.47466  Sterimol/B2: 4.90314  Sterimol/B3: 5.08508
  Sterimol/B4: 5.35333  Sterimol/L: 23.058 
 
 Surface and Volume Properties
  Accessible surface: 754.447  Positive charged surface: 509.906  Negative charged surface: 244.541  Volume: 411.375
  Hydrophobic surface: 513.629  Hydrophilic surface: 240.818
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.