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N-[(6Z,12Z)-6,12-diphenyl-2-[[2-(2-piperidin-1-ylethoxy)acetyl]amino]benzo[c][1,5]benzodiazocin-8-yl]-2-(2-piperidin-1-ylethoxy)acetamide

Formula:C44H50N6O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(6Z,12Z)-6,12-diphenyl-2-[[2-(2-piperidin-1-ylethoxy)acetyl]amino]benzo[c][1,5]benzodiazocin-8-yl]-2-(2-piperidin-1-ylethoxy)acetamide is not a drug-like molecule.
MolNameN-[(6Z,12Z)-6,12-diphenyl-2-[[2-(2-piperidin-1-ylethoxy)acetyl]amino]benzo[c][1,5]benzodiazocin-8-yl]-2-(2-piperidin-1-ylethoxy)acetamide
MolecularFormulaC44H50N6O4
SmilesO=C(COCCN1CCCCC1)NC1=C/C2=C(\c3ccccc3)/N=C(/C=CC(NC(COCCN3CCCCC3)=O)=C3)\C3=C(\c3ccccc3)/N=C2/C=C1
InChIInChI=1S/C44H50N6O4/c51-41(31-53-27-25-49-21-9-3-10-22-49)45-35-17-19-39-37(29-35)43(33-13-5-1-6-14-33)47-40-20-18-36(30-38(40)44(48-39)34-15-7-2-8-16-34)46-42(52)32-54-28-26-50-23-11-4-12-24-50/h1-2,5-8,13-20,29-30H,3-4,9-12,21-28,31-32H2,(H,45,51)(H,46,
InChIKZQPVKNNVTPDUBW-UHFFFAOYSA-N
TotalMolweight726.919
Molweight726.919
MonoisotopicMass726.389354
CLogP4.3234
CLogS-5.244
H Acceptors10
H Donors2
TotalSurfaceArea578.9
Relative PSA0.17122
PolarSurfaceArea107.86
Druglikeness2.8636
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.53704
Fragments1
Non HAtoms54
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond14
Rings Closures7
Small Rings6
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms20
Symmetricatoms31
Amides2
Amines2
AlkylAmines2
BasicNitrogens4
StereoCon

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