N-(2,4-dichlorophenyl)-4-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxobutanamide

Formula:C20H17N4O3Cl2FS Mutagenic:high Tumorigenic:none Reproductive Effective:high N-(2,4-dichlorophenyl)-4-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxobutanamide is a drug-like molecule.

MolName	N-(2,4-dichlorophenyl)-4-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxobutanamide
MolecularFormula	C20H17N4O3Cl2FS
Smiles	O=C(CCC(NNC(NC(/C=C/c(cc1)ccc1F)=O)=S)=O)Nc(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C20H17Cl2FN4O3S/c21-13-4-7-16(15(22)11-13)24-17(28)9-10-19(30)26-27-20(31)25-18(29)8-3-12-1-5-14(23)6-2-12/h1-8,11H,9-10H2,(H,24,28)(H,26,30)(H2,25,27,29,31)
InChIK	ZGRQJXPPWDOJRJ-UHFFFAOYSA-N
TotalMolweight	483.35
Molweight	483.35
MonoisotopicMass	482.038243
CLogP	3.2931
CLogS	-6.355
H Acceptors	7
H Donors	4
TotalSurfaceArea	356.03
Relative PSA	0.31728
PolarSurfaceArea	131.42
Druglikeness	-1.1835
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions	thio-amide/urea
Shape Index	0.70968
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	2
StereoCon

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