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

Formula:C28H20N2O2ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[[4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]phenyl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one is not a drug-like molecule.

MolName	2-[[4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]phenyl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
MolecularFormula	C28H20N2O2ClFS
Smiles	O=C1N(Cc2ccco2)C(SCc2ccc(/C=C/c(c(F)ccc3)c3Cl)cc2)=Nc2c1cccc2
InChI	InChI=1S/C28H20ClFN2O2S/c29-24-7-3-8-25(30)22(24)15-14-19-10-12-20(13-11-19)18-35-28-31-26-9-2-1-6-23(26)27(33)32(28)17-21-5-4-16-34-21/h1-16H,17-18H2
InChIK	IJRQQOZTDOPCJX-UHFFFAOYSA-N
TotalMolweight	502.996
Molweight	502.996
MonoisotopicMass	502.091803
CLogP	6.4425
CLogS	-8.253
H Acceptors	4
TotalSurfaceArea	373.03
Relative PSA	0.16004
PolarSurfaceArea	71.11
Druglikeness	2.1427
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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