(E)-N-(2-adamantylcarbamothioyl)-3-(2,4-dichlorophenyl)prop-2-enamide

Formula:C20H22N2OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-N-(2-adamantylcarbamothioyl)-3-(2,4-dichlorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(2-adamantylcarbamothioyl)-3-(2,4-dichlorophenyl)prop-2-enamide
MolecularFormula	C20H22N2OCl2S
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)NC(NC1C2CC(C3)CC1CC3C2)=S
InChI	InChI=1S/C20H22Cl2N2OS/c21-16-3-1-13(17(22)10-16)2-4-18(25)23-20(26)24-19-14-6-11-5-12(8-14)9-15(19)7-11/h1-4,10-12,14-15,19H,5-9H2,(H2,23,24,25,26)
InChIK	DZFFDXVMIPEACL-UHFFFAOYSA-N
TotalMolweight	409.38
Molweight	409.38
MonoisotopicMass	408.082987
CLogP	4.8685
CLogS	-6.394
H Acceptors	3
H Donors	2
TotalSurfaceArea	294.78
Relative PSA	0.21698
PolarSurfaceArea	73.22
Druglikeness	0.24811
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	11
Symmetricatoms	5
Amides	1
StereoCon

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