2-[[4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]phenyl]methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one

Formula:C29H18N2OClF3S Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[[4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]phenyl]methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one is not a drug-like molecule.

MolName	2-[[4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]phenyl]methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one
MolecularFormula	C29H18N2OClF3S
Smiles	O=C1N(c(ccc(F)c2)c2F)C(SCc2ccc(/C=C/c(c(F)ccc3)c3Cl)cc2)=Nc2c1cccc2
InChI	InChI=1S/C29H18ClF3N2OS/c30-23-5-3-6-24(32)21(23)14-12-18-8-10-19(11-9-18)17-37-29-34-26-7-2-1-4-22(26)28(36)35(29)27-15-13-20(31)16-25(27)33/h1-16H,17H2
InChIK	VWUUFGSCBFKKMK-UHFFFAOYSA-N
TotalMolweight	534.988
Molweight	534.988
MonoisotopicMass	534.078044
CLogP	7.5325
CLogS	-9.721
H Acceptors	3
TotalSurfaceArea	382.28
Relative PSA	0.11926
PolarSurfaceArea	57.97
Druglikeness	0.87904
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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