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PUBCHEM-ZINC02016986

 MMsINC code: MMs02852849
Type: Neutral
Formula: C23H33NO
SMILES:   O(C(c1ccccc1)c1ccccc1)CCN(CCCC)CCCC
InChI:   InChI=1/C23H33NO/c1-3-5-17-24(18-6-4-2)19-20-25-23(21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,23H,3-6,17-20H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.94 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.523 g/mol  logS: -5.25527  SlogP: 5.7903  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190814  Sterimol/B1: 2.79559  Sterimol/B2: 2.97938  Sterimol/B3: 5.70978
  Sterimol/B4: 10.2849  Sterimol/L: 14.5433 
 
 Surface and Volume Properties
  Accessible surface: 664.985  Positive charged surface: 462.032  Negative charged surface: 202.953  Volume: 385.875
  Hydrophobic surface: 617.503  Hydrophilic surface: 47.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02852850
PUBCHEM-ZINC02016986