N-(4-fluorophenyl)-2-[3-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]indol-1-yl]acetamide

Formula:C22H16N5O5F Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(4-fluorophenyl)-2-[3-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]indol-1-yl]acetamide is a drug-like molecule.

MolName	N-(4-fluorophenyl)-2-[3-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]indol-1-yl]acetamide
MolecularFormula	C22H16N5O5F
Smiles	[O-][N+](C(C(NC(/C=C/c1cn(CC(Nc(cc2)ccc2F)=O)c2c1cccc2)=N1)=O)=C1O)=O
InChI	InChI=1S/C22H16FN5O5/c23-14-6-8-15(9-7-14)24-19(29)12-27-11-13(16-3-1-2-4-17(16)27)5-10-18-25-21(30)20(28(32)33)22(31)26-18/h1-11H,12H2,(H,24,29)(H2,25,26,30,31)
InChIK	JGOKCGLWDMTTEI-UHFFFAOYSA-N
TotalMolweight	449.397
Molweight	449.397
MonoisotopicMass	449.113548
CLogP	0.8346
CLogS	-5.499
H Acceptors	10
H Donors	3
TotalSurfaceArea	324.26
Relative PSA	0.34201
PolarSurfaceArea	141.54
Druglikeness	-1.7624
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - N-(4-fluorophenyl)-2-[3-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]indol-1-yl]acetamide | 2 - N-(4-fluorophenyl)-2-[3-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]indol-1-yl]acetamide

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