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CHEMBRIDGE-ZINC00938378

 MMsINC code: MMs00645948
Type: Neutral
Formula: C23H39NO3
SMILES:   O1CCN(CC1)CC(O)COc1ccc(cc1C(CC)(C)C)C(CC)(C)C
InChI:   InChI=1/C23H39NO3/c1-7-22(3,4)18-9-10-21(20(15-18)23(5,6)8-2)27-17-19(25)16-24-11-13-26-14-12-24/h9-10,15,19,25H,7-8,11-14,16-17H2,1-6H3/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=152.392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.569 g/mol  logS: -6.17824  SlogP: 4.1337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0558131  Sterimol/B1: 2.56417  Sterimol/B2: 3.3943  Sterimol/B3: 4.26997
  Sterimol/B4: 9.23375  Sterimol/L: 18.4195 
 
 Surface and Volume Properties
  Accessible surface: 692.626  Positive charged surface: 524.529  Negative charged surface: 168.097  Volume: 410.5
  Hydrophobic surface: 538.56  Hydrophilic surface: 154.066
 
 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


MMs00645949
CHEMBRIDGE-ZINC00938378