(Z)-2-cyano-3-[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide

Formula:C28H29N5O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-cyano-3-[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide is not a drug-like molecule.

MolName	(Z)-2-cyano-3-[3-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
MolecularFormula	C28H29N5O5S
Smiles	N#C/C(/C(NCC1OCCC1)=O)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(N2CCOCC2)(=O)=O)c1
InChI	InChI=1S/C28H29N5O5S/c29-18-22(28(34)30-19-25-9-5-13-38-25)16-23-20-33(24-7-2-1-3-8-24)31-27(23)21-6-4-10-26(17-21)39(35,36)32-11-14-37-15-12-32/h1-4,6-8,10,16-17,20,25H,5,9,11-15,19H2,(H,30,34)/t25-/m1/s1
InChIK	BFTWTXIBDRVMQK-RUZDIDTESA-N
TotalMolweight	547.634
Molweight	547.634
MonoisotopicMass	547.18894
CLogP	1.5412
CLogS	-3.667
H Acceptors	10
H Donors	1
TotalSurfaceArea	410.83
Relative PSA	0.26296
PolarSurfaceArea	134.93
Druglikeness	-3.2378
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.46154
Fragments	1
Non HAtoms	39
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	12
Symmetricatoms	5
Amides	2
Aromatic Nitrogens	2
StereoCon	racemate

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