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CHEMDIV-ZINC00938374

 MMsINC code: MMs00859308
Type: Neutral
Formula: C23H41NO2
SMILES:   O(CC(O)CN(CC)CC)c1ccc(cc1C(CC)(C)C)C(CC)(C)C
InChI:   InChI=1/C23H41NO2/c1-9-22(5,6)18-13-14-21(20(15-18)23(7,8)10-2)26-17-19(25)16-24(11-3)12-4/h13-15,19,25H,9-12,16-17H2,1-8H3/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.586 g/mol  logS: -6.54118  SlogP: 5.1433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0685721  Sterimol/B1: 2.56956  Sterimol/B2: 3.4728  Sterimol/B3: 4.41303
  Sterimol/B4: 9.51157  Sterimol/L: 18.0458 
 
 Surface and Volume Properties
  Accessible surface: 685.407  Positive charged surface: 493.441  Negative charged surface: 191.966  Volume: 412.125
  Hydrophobic surface: 513.509  Hydrophilic surface: 171.898
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs00859309
CHEMDIV-ZINC00938374