(E)-3-(furan-2-yl)-N-[3-[4-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide

Formula:C24H32N4O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(furan-2-yl)-N-[3-[4-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide is a drug-like molecule.

MolName(E)-3-(furan-2-yl)-N-[3-[4-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
MolecularFormulaC24H32N4O4
SmilesO=C(/C=C/c1ccco1)NCCCN1CCN(CCCNC(/C=C/c2ccco2)=O)CC1
InChIInChI=1S/C24H32N4O4/c29-23(9-7-21-5-1-19-31-21)25-11-3-13-27-15-17-28(18-16-27)14-4-12-26-24(30)10-8-22-6-2-20-32-22/h1-2,5-10,19-20H,3-4,11-18H2,(H,25,29)(H,26,30)
InChIKQDGYJAIWUAWLDI-UHFFFAOYSA-N
TotalMolweight440.542
Molweight440.542
MonoisotopicMass440.242356
CLogP1.755
CLogS-2.494
H Acceptors8
H Donors2
TotalSurfaceArea368.52
Relative PSA0.22881
PolarSurfaceArea90.96
Druglikeness7.0058
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.75
Fragments1
Non HAtoms32
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond12
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms10
Sp3Atoms12
Symmetricatoms17
Amides2
Amines2
AlkylAmines2
BasicNitrogens2
StereoCon

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