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N-[(E)-3-[2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]ethylamino]-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C36H30N4O8 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-3-[2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]ethylamino]-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.
MolNameN-[(E)-3-[2-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]ethylamino]-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormulaC36H30N4O8
SmilesO=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)NCCNC(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)=O
InChIInChI=1S/C36H30N4O8/c41-33(25-7-3-1-4-8-25)39-27(17-23-11-13-29-31(19-23)47-21-45-29)35(43)37-15-16-38-36(44)28(40-34(42)26-9-5-2-6-10-26)18-24-12-14-30-32(20-24)48-22-46-30/h1-14,17-20H,15-16,21-22H2,(H,37,43)(H,38,44)(H,39,41)(H,40,42)
InChIKUKZDILQBRQEGCV-UHFFFAOYSA-N
TotalMolweight646.654
Molweight646.654
MonoisotopicMass646.206366
CLogP5.4884
CLogS-7.77
H Acceptors12
H Donors4
TotalSurfaceArea486.84
Relative PSA0.28346
PolarSurfaceArea153.32
Druglikeness4.1337
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.41667
Fragments1
Non HAtoms48
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond11
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms8
Symmetricatoms26
Amides4
StereoCon

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