(E)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)prop-2-en-1-one

Formula:C28H22N4O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)prop-2-en-1-one
MolecularFormula	C28H22N4O2Cl2S
Smiles	O=C(/C=C/c1c[nH]c2c1cccc2)N(CC1)CCC1c1nc(-c2cc(-c(cc3)cc(Cl)c3Cl)no2)cs1
InChI	InChI=1S/C28H22Cl2N4O2S/c29-21-7-5-18(13-22(21)30)24-14-26(36-33-24)25-16-37-28(32-25)17-9-11-34(12-10-17)27(35)8-6-19-15-31-23-4-2-1-3-20(19)23/h1-8,13-17,31H,9-12H2
InChIK	JWMKMMVGRFKLBA-UHFFFAOYSA-N
TotalMolweight	549.481
Molweight	549.481
MonoisotopicMass	548.08405
CLogP	6.6547
CLogS	-7.19
H Acceptors	6
H Donors	1
TotalSurfaceArea	399.29
Relative PSA	0.21786
PolarSurfaceArea	103.26
Druglikeness	5.575
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62162
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - (E)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)prop-2-en-1-one | 2 - (E)-1-[4-[4-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-3-(1H-indol-3-yl)prop-2-en-1-one

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