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ENAMINE-ZINC02642719

 MMsINC code: MMs01269888
Type: Neutral
Formula: C23H34N2O
SMILES:   O=C(N1CCc2c(C1)cccc2)CN(C1CCCCC1)C1CCCCC1
InChI:   InChI=1/C23H34N2O/c26-23(24-16-15-19-9-7-8-10-20(19)17-24)18-25(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h7-10,21-22H,1-6,11-18H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.9623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.538 g/mol  logS: -4.44906  SlogP: 4.80507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116317  Sterimol/B1: 3.60157  Sterimol/B2: 4.13315  Sterimol/B3: 6.05128
  Sterimol/B4: 6.45328  Sterimol/L: 16.0579 
 
 Surface and Volume Properties
  Accessible surface: 641.069  Positive charged surface: 474.619  Negative charged surface: 166.449  Volume: 378
  Hydrophobic surface: 622.466  Hydrophilic surface: 18.603
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01269889
ENAMINE-ZINC02642719