(E)-3-(furan-2-yl)-1-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one

Formula:C21H24N4O5 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(furan-2-yl)-1-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-1-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C21H24N4O5
Smiles	[O-][N+](c(ccc(N(CC1)CCN1C(/C=C/c1ccco1)=O)c1)c1N1CCOCC1)=O
InChI	InChI=1S/C21H24N4O5/c26-21(6-4-18-2-1-13-30-18)24-9-7-22(8-10-24)17-3-5-19(25(27)28)20(16-17)23-11-14-29-15-12-23/h1-6,13,16H,7-12,14-15H2
InChIK	FIIUKQKJQJFBBF-UHFFFAOYSA-N
TotalMolweight	412.445
Molweight	412.445
MonoisotopicMass	412.174671
CLogP	1.2038
CLogS	-3.288
H Acceptors	9
TotalSurfaceArea	314.61
Relative PSA	0.24863
PolarSurfaceArea	94.98
Druglikeness	-0.78881
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	11
Symmetricatoms	4
Amides	1
Amines	2
Aromatic Amines	2
AcidicOxygens	1
StereoCon

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