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NCID-ZINC04430183

 MMsINC code: MMs02388104
Type: Neutral
Formula: C23H35NO3
SMILES:   O1CCN(CC1)CCCCCCOC(=O)C1(CCCCC1)c1ccccc1
InChI:   InChI=1/C23H35NO3/c25-22(23(13-7-4-8-14-23)21-11-5-3-6-12-21)27-18-10-2-1-9-15-24-16-19-26-20-17-24/h3,5-6,11-12H,1-2,4,7-10,13-20H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.4005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.537 g/mol  logS: -4.67169  SlogP: 4.3243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0469453  Sterimol/B1: 2.5598  Sterimol/B2: 3.70139  Sterimol/B3: 4.18355
  Sterimol/B4: 9.49391  Sterimol/L: 19.4638 
 
 Surface and Volume Properties
  Accessible surface: 699.076  Positive charged surface: 547.639  Negative charged surface: 151.438  Volume: 395.5
  Hydrophobic surface: 667.511  Hydrophilic surface: 31.565
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02388105
NCID-ZINC04430183