2-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoic acid

Formula:C21H18N2O6 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoic acid is a drug-like molecule.

MolName	2-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoic acid
MolecularFormula	C21H18N2O6
Smiles	OC(C(Cc1ccccc1)NC(/C(/NC(c1ccco1)=O)=C\c1ccco1)=O)=O
InChI	InChI=1S/C21H18N2O6/c24-19(23-17(21(26)27)12-14-6-2-1-3-7-14)16(13-15-8-4-10-28-15)22-20(25)18-9-5-11-29-18/h1-11,13,17H,12H2,(H,22,25)(H,23,24)(H,26,27)/t17-/m0/s1
InChIK	JRDCUEPBCFIPLS-KRWDZBQOSA-N
TotalMolweight	394.382
Molweight	394.382
MonoisotopicMass	394.116488
CLogP	2.0237
CLogS	-4.018
H Acceptors	8
H Donors	3
TotalSurfaceArea	305.65
Relative PSA	0.33816
PolarSurfaceArea	121.78
Druglikeness	-7.631
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon	racemate

Click to Load Molecule:

1 - 2-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoic acid | 2 - 2-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoic acid

Request More Details | 2-[[(E)-2-(furan-2-carbonylamino)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments