(E)-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide

Formula:C25H22N3O2Cl3S Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
MolecularFormula	C25H22N3O2Cl3S
Smiles	O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)NC(Nc(cccc1Cl)c1N1CCCCC1)=S
InChI	InChI=1S/C25H22Cl3N3O2S/c26-18-7-4-6-17(23(18)28)21-12-10-16(33-21)11-13-22(32)30-25(34)29-20-9-5-8-19(27)24(20)31-14-2-1-3-15-31/h4-13H,1-3,14-15H2,(H2,29,30,32,34)
InChIK	AOEHYHSCJJYQPK-UHFFFAOYSA-N
TotalMolweight	534.894
Molweight	534.894
MonoisotopicMass	533.049828
CLogP	6.9086
CLogS	-8.703
H Acceptors	5
H Donors	2
TotalSurfaceArea	394.21
Relative PSA	0.20705
PolarSurfaceArea	89.6
Druglikeness	1.1556
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	2
Amides	1
Amines	1
Aromatic Amines	1
StereoCon

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