(E)-2-cyano-3-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide

Formula:C25H24N3O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
MolecularFormula	C25H24N3O3F
Smiles	N#C/C(/C(NCC1OCCC1)=O)=C\c1cn(CCOc(cccc2)c2F)c2c1cccc2
InChI	InChI=1S/C25H24FN3O3/c26-22-8-2-4-10-24(22)32-13-11-29-17-19(21-7-1-3-9-23(21)29)14-18(15-27)25(30)28-16-20-6-5-12-31-20/h1-4,7-10,14,17,20H,5-6,11-13,16H2,(H,28,30)/t20-/m1/s1
InChIK	QCEKTOUDOWTRLZ-HXUWFJFHSA-N
TotalMolweight	433.482
Molweight	433.482
MonoisotopicMass	433.18017
CLogP	3.1271
CLogS	-4.405
H Acceptors	6
H Donors	1
TotalSurfaceArea	340.36
Relative PSA	0.19077
PolarSurfaceArea	76.28
Druglikeness	-2.2628
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	9
Amides	1
Aromatic Nitrogens	1
StereoCon	racemate

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