6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoic acid

Formula:C22H24N2O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none 6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoic acid is a drug-like molecule.

MolName	6-[[(E)-3-(furan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]hexanoic acid
MolecularFormula	C22H24N2O5
Smiles	OC(CCCCCNC(/C(/NC(/C=C/c1ccccc1)=O)=C\c1ccco1)=O)=O
InChI	InChI=1S/C22H24N2O5/c25-20(13-12-17-8-3-1-4-9-17)24-19(16-18-10-7-15-29-18)22(28)23-14-6-2-5-11-21(26)27/h1,3-4,7-10,12-13,15-16H,2,5-6,11,14H2,(H,23,28)(H,24,25)(H,26,27)
InChIK	KLTMWLZODQIWQE-UHFFFAOYSA-N
TotalMolweight	396.442
Molweight	396.442
MonoisotopicMass	396.168523
CLogP	3.1806
CLogS	-4.273
H Acceptors	7
H Donors	3
TotalSurfaceArea	325.24
Relative PSA	0.27441
PolarSurfaceArea	108.64
Druglikeness	-8.7746
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	11
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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