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CHEMDIV-ZINC03899211

 MMsINC code: MMs00918198
Type: Neutral
Formula: C24H44N2O2
SMILES:   Oc1cc(CN(CCCC)CCCC)c(O)cc1CN(CCCC)CCCC
InChI:   InChI=1/C24H44N2O2/c1-5-9-13-25(14-10-6-2)19-21-17-24(28)22(18-23(21)27)20-26(15-11-7-3)16-12-8-4/h17-18,27-28H,5-16,19-20H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.8111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.628 g/mol  logS: -4.58068  SlogP: 6.435  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135518  Sterimol/B1: 2.27913  Sterimol/B2: 2.53591  Sterimol/B3: 7.9175
  Sterimol/B4: 10.1911  Sterimol/L: 19.9156 
 
 Surface and Volume Properties
  Accessible surface: 797.623  Positive charged surface: 620.108  Negative charged surface: 177.515  Volume: 445.125
  Hydrophobic surface: 619.73  Hydrophilic surface: 177.893
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs00918199
CHEMDIV-ZINC03899211