N-[(E)-3-[(1,1-dioxothiolan-3-yl)amino]-1-diphenylphosphoryl-3-oxo-1-phenylprop-1-en-2-yl]benzamide

Formula:C32H29N2O5PS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-[(1,1-dioxothiolan-3-yl)amino]-1-diphenylphosphoryl-3-oxo-1-phenylprop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(E)-3-[(1,1-dioxothiolan-3-yl)amino]-1-diphenylphosphoryl-3-oxo-1-phenylprop-1-en-2-yl]benzamide
MolecularFormula	C32H29N2O5PS
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C(/c1ccccc1)\P(c1ccccc1)(c1ccccc1)=O)NC(CC1)CS1(=O)=O
InChI	InChI=1S/C32H29N2O5PS/c35-31(25-15-7-2-8-16-25)34-29(32(36)33-26-21-22-41(38,39)23-26)30(24-13-5-1-6-14-24)40(37,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,26H,21-23H2,(H,33,36)(H,34,35)/t26-/m1/s1
InChIK	ZODJBGPBNQJPBY-AREMUKBSSA-N
TotalMolweight	584.631
Molweight	584.631
MonoisotopicMass	584.15348
CLogP	4.5859
CLogS	-5.686
H Acceptors	7
H Donors	2
TotalSurfaceArea	426.51
Relative PSA	0.2218
PolarSurfaceArea	127.6
Druglikeness	-43.152
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.31707
Fragments	1
Non HAtoms	41
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	6
Symmetricatoms	13
Amides	2
StereoCon	racemate

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