(E)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile

Formula:C23H20N3O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
MolecularFormula	C23H20N3O2F
Smiles	N#C/C(/C(N1CCOCC1)=O)=C\c1cn(Cc(cc2)ccc2F)c2c1cccc2
InChI	InChI=1S/C23H20FN3O2/c24-20-7-5-17(6-8-20)15-27-16-19(21-3-1-2-4-22(21)27)13-18(14-25)23(28)26-9-11-29-12-10-26/h1-8,13,16H,9-12,15H2
InChIK	PZNYJCLEBFEYDC-UHFFFAOYSA-N
TotalMolweight	389.429
Molweight	389.429
MonoisotopicMass	389.153955
CLogP	3.1456
CLogS	-3.26
H Acceptors	5
TotalSurfaceArea	302.94
Relative PSA	0.15521
PolarSurfaceArea	58.26
Druglikeness	-1.877
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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