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N-[(E)-3-[6-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexylamino]-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C40H38N4O8 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(E)-3-[6-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexylamino]-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.
MolNameN-[(E)-3-[6-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexylamino]-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormulaC40H38N4O8
SmilesO=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)NCCCCCCNC(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)=O
InChIInChI=1S/C40H38N4O8/c45-37(29-11-5-3-6-12-29)43-31(21-27-15-17-33-35(23-27)51-25-49-33)39(47)41-19-9-1-2-10-20-42-40(48)32(44-38(46)30-13-7-4-8-14-30)22-28-16-18-34-36(24-28)52-26-50-34/h3-8,11-18,21-24H,1-2,9-10,19-20,25-26H2,(H,41,47)(H,42,48)(H,43,45)(
InChIKGOXRUOUPSLQXMT-UHFFFAOYSA-N
TotalMolweight702.762
Molweight702.762
MonoisotopicMass702.268966
CLogP7.306
CLogS-8.85
H Acceptors12
H Donors4
TotalSurfaceArea541.88
Relative PSA0.25467
PolarSurfaceArea153.32
Druglikeness-3.0388
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.46154
Fragments1
Non HAtoms52
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond15
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms12
Symmetricatoms28
Amides4
StereoCon

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