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ENAMINE-ZINC05511002

 MMsINC code: MMs01618504
Type: Neutral
Formula: C23H31NO4
SMILES:   O(C)c1c(OC)cc(cc1OC)CC(=O)NC(C)c1ccc(cc1)CC(C)C
InChI:   InChI=1/C23H31NO4/c1-15(2)11-17-7-9-19(10-8-17)16(3)24-22(25)14-18-12-20(26-4)23(28-6)21(13-18)27-5/h7-10,12-13,15-16H,11,14H2,1-6H3,(H,24,25)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.41 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.504 g/mol  logS: -5.85831  SlogP: 4.42624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0431504  Sterimol/B1: 2.28995  Sterimol/B2: 5.08486  Sterimol/B3: 5.30238
  Sterimol/B4: 6.33216  Sterimol/L: 20.8771 
 
 Surface and Volume Properties
  Accessible surface: 722.654  Positive charged surface: 560.443  Negative charged surface: 162.211  Volume: 398.875
  Hydrophobic surface: 615.463  Hydrophilic surface: 107.191
 
 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.