(E)-N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-3-(2,4-dichlorophenyl)prop-2-enamide

Formula:C20H18N3OCl3S Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-3-(2,4-dichlorophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-3-(2,4-dichlorophenyl)prop-2-enamide
MolecularFormula	C20H18N3OCl3S
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)NC(Nc(cccc1Cl)c1N1CCCC1)=S
InChI	InChI=1S/C20H18Cl3N3OS/c21-14-8-6-13(16(23)12-14)7-9-18(27)25-20(28)24-17-5-3-4-15(22)19(17)26-10-1-2-11-26/h3-9,12H,1-2,10-11H2,(H2,24,25,27,28)
InChIK	ZAYWBZMOPOKOFG-UHFFFAOYSA-N
TotalMolweight	454.808
Molweight	454.808
MonoisotopicMass	453.023613
CLogP	5.6277
CLogS	-6.973
H Acceptors	4
H Donors	2
TotalSurfaceArea	331
Relative PSA	0.20396
PolarSurfaceArea	76.46
Druglikeness	1.5443
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Amines	1
Aromatic Amines	1
StereoCon

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