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PUBCHEM-ZINC06565708

 MMsINC code: MMs03800708
Type: Neutral
Formula: C24H26N2O4
SMILES:   o1nc(c2c1CCCC2=O)CCC(=O)C1/C(=N\CCc2ccccc2)/CCCC1=O
InChI:   InChI=1/C24H26N2O4/c27-19-9-4-8-17(25-15-14-16-6-2-1-3-7-16)23(19)21(29)13-12-18-24-20(28)10-5-11-22(24)30-26-18/h1-3,6-7,23H,4-5,8-15H2/b25-17-/t23-/m0/s1

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Potential Energy
Epot(MMFF94)=78.248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.482 g/mol  logS: -3.61561  SlogP: 3.74811  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0856095  Sterimol/B1: 2.56219  Sterimol/B2: 3.66472  Sterimol/B3: 4.63471
  Sterimol/B4: 11.5032  Sterimol/L: 16.4073 
 
 Surface and Volume Properties
  Accessible surface: 696.793  Positive charged surface: 426.538  Negative charged surface: 270.255  Volume: 394.5
  Hydrophobic surface: 580.904  Hydrophilic surface: 115.889
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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: 1
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Ions/Tautomers related molecules


MMs03800709
PUBCHEM-ZINC06565708


MMs03800711
PUBCHEM-ZINC06565708


MMs03800710
PUBCHEM-ZINC06565708