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CHEMDIV-ZINC04712252

 MMsINC code: MMs00943500
Type: Neutral
Formula: C26H34N2O3
SMILES:   O(CCCC)c1ccc(cc1)C(NC(=O)C1CC(=O)N(C1)CCc1ccc(cc1)C)C
InChI:   InChI=1/C26H34N2O3/c1-4-5-16-31-24-12-10-22(11-13-24)20(3)27-26(30)23-17-25(29)28(18-23)15-14-21-8-6-19(2)7-9-21/h6-13,20,23H,4-5,14-18H2,1-3H3,(H,27,30)/t20-,23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.3997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.569 g/mol  logS: -5.10991  SlogP: 4.53779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0211267  Sterimol/B1: 2.46668  Sterimol/B2: 2.89755  Sterimol/B3: 4.35568
  Sterimol/B4: 7.39267  Sterimol/L: 26.5817 
 
 Surface and Volume Properties
  Accessible surface: 806.364  Positive charged surface: 541.294  Negative charged surface: 265.07  Volume: 440.375
  Hydrophobic surface: 688.992  Hydrophilic surface: 117.372
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.