(E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]prop-2-enamide

Formula:C25H23N3O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]prop-2-enamide
MolecularFormula	C25H23N3O2Cl2S
Smiles	O=C(/C=C/c1ccc(-c(cc2)ccc2Cl)o1)NC(Nc1cccc(Cl)c1N1CCCCC1)=S
InChI	InChI=1S/C25H23Cl2N3O2S/c26-18-9-7-17(8-10-18)22-13-11-19(32-22)12-14-23(31)29-25(33)28-21-6-4-5-20(27)24(21)30-15-2-1-3-16-30/h4-14H,1-3,15-16H2,(H2,28,29,31,33)
InChIK	RINKLCWFNSZRTC-UHFFFAOYSA-N
TotalMolweight	500.449
Molweight	500.449
MonoisotopicMass	499.088801
CLogP	6.3026
CLogS	-7.967
H Acceptors	5
H Donors	2
TotalSurfaceArea	378.79
Relative PSA	0.21548
PolarSurfaceArea	89.6
Druglikeness	1.1556
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	4
Amides	1
Amines	1
Aromatic Amines	1
StereoCon

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