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CHEMBRIDGE-ZINC04834133

 MMsINC code: MMs00796124
Type: Neutral
Formula: C24H34N2O3
SMILES:   O(CC(O)CN(CCCC)CCCC)c1ccccc1C(=O)Nc1ccccc1
InChI:   InChI=1/C24H34N2O3/c1-3-5-16-26(17-6-4-2)18-21(27)19-29-23-15-11-10-14-22(23)24(28)25-20-12-8-7-9-13-20/h7-15,21,27H,3-6,16-19H2,1-2H3,(H,25,28)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.547 g/mol  logS: -5.189  SlogP: 4.5808  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121972  Sterimol/B1: 2.3755  Sterimol/B2: 6.48934  Sterimol/B3: 7.14029
  Sterimol/B4: 8.36129  Sterimol/L: 19.6813 
 
 Surface and Volume Properties
  Accessible surface: 775.393  Positive charged surface: 529.75  Negative charged surface: 245.643  Volume: 419.625
  Hydrophobic surface: 656.44  Hydrophilic surface: 118.953
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0
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Ions/Tautomers related molecules


MMs00796125
CHEMBRIDGE-ZINC04834133