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

Formula:C19H18N2O7 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]butanoic acid is a drug-like molecule.

MolName	4-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]butanoic acid
MolecularFormula	C19H18N2O7
Smiles	OC(CCCNC(/C(/NC(c1ccco1)=O)=C/c(cc1)cc2c1OCO2)=O)=O
InChI	InChI=1S/C19H18N2O7/c22-17(23)4-1-7-20-18(24)13(21-19(25)15-3-2-8-26-15)9-12-5-6-14-16(10-12)28-11-27-14/h2-3,5-6,8-10H,1,4,7,11H2,(H,20,24)(H,21,25)(H,22,23)
InChIK	HENVUSVJVSGYIA-UHFFFAOYSA-N
TotalMolweight	386.359
Molweight	386.359
MonoisotopicMass	386.111403
CLogP	2.054
CLogS	-4.074
H Acceptors	9
H Donors	3
TotalSurfaceArea	291.48
Relative PSA	0.37481
PolarSurfaceArea	127.1
Druglikeness	1.2535
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Amides	2
AcidicOxygens	1
StereoCon

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