6-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]hexanoic acid

Formula:C21H22N2O7 Mutagenic:none Tumorigenic:none Reproductive Effective:high 6-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]hexanoic acid is a drug-like molecule.

MolName	6-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]hexanoic acid
MolecularFormula	C21H22N2O7
Smiles	OC(CCCCCNC(/C(/NC(c1ccco1)=O)=C/c(cc1)cc2c1OCO2)=O)=O
InChI	InChI=1S/C21H22N2O7/c24-19(25)6-2-1-3-9-22-20(26)15(23-21(27)17-5-4-10-28-17)11-14-7-8-16-18(12-14)30-13-29-16/h4-5,7-8,10-12H,1-3,6,9,13H2,(H,22,26)(H,23,27)(H,24,25)
InChIK	CLVOSQCVGXNPJB-UHFFFAOYSA-N
TotalMolweight	414.413
Molweight	414.413
MonoisotopicMass	414.142703
CLogP	2.9628
CLogS	-4.614
H Acceptors	9
H Donors	3
TotalSurfaceArea	319
Relative PSA	0.34248
PolarSurfaceArea	127.1
Druglikeness	-7.3915
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Amides	2
AcidicOxygens	1
StereoCon

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