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

Formula:C24H20N2O7 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]-3-phenylpropanoic acid is a drug-like molecule.

MolName	2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]-3-phenylpropanoic acid
MolecularFormula	C24H20N2O7
Smiles	OC(C(Cc1ccccc1)NC(/C(/NC(c1ccco1)=O)=C/c(cc1)cc2c1OCO2)=O)=O
InChI	InChI=1S/C24H20N2O7/c27-22(26-18(24(29)30)11-15-5-2-1-3-6-15)17(25-23(28)20-7-4-10-31-20)12-16-8-9-19-21(13-16)33-14-32-19/h1-10,12-13,18H,11,14H2,(H,25,28)(H,26,27)(H,29,30)/t18-/m0/s1
InChIK	VELFLYBNDMTWJG-SFHVURJKSA-N
TotalMolweight	448.43
Molweight	448.43
MonoisotopicMass	448.127053
CLogP	2.9464
CLogS	-5.047
H Acceptors	9
H Donors	3
TotalSurfaceArea	336.22
Relative PSA	0.32494
PolarSurfaceArea	127.1
Druglikeness	-7.6182
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon	racemate

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

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