(3Z)-1-(4-chlorophenyl)-3-[2-(3-morpholin-4-ylsulfonylphenyl)-3H-isoindol-1-ylidene]urea

Formula:C25H23N4O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (3Z)-1-(4-chlorophenyl)-3-[2-(3-morpholin-4-ylsulfonylphenyl)-3H-isoindol-1-ylidene]urea is not a drug-like molecule.

MolName	(3Z)-1-(4-chlorophenyl)-3-[2-(3-morpholin-4-ylsulfonylphenyl)-3H-isoindol-1-ylidene]urea
MolecularFormula	C25H23N4O4ClS
Smiles	O=C(Nc(cc1)ccc1Cl)/N=C(/c1c(C2)cccc1)\N2c1cc(S(N2CCOCC2)(=O)=O)ccc1
InChI	InChI=1S/C25H23ClN4O4S/c26-19-8-10-20(11-9-19)27-25(31)28-24-23-7-2-1-4-18(23)17-30(24)21-5-3-6-22(16-21)35(32,33)29-12-14-34-15-13-29/h1-11,16H,12-15,17H2,(H,27,31)
InChIK	KXSCJRJHSKFNPP-UHFFFAOYSA-N
TotalMolweight	511.001
Molweight	511.001
MonoisotopicMass	510.112853
CLogP	3.588
CLogS	-5.307
H Acceptors	8
H Donors	1
TotalSurfaceArea	361.36
Relative PSA	0.22606
PolarSurfaceArea	99.69
Druglikeness	-0.94999
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	5
Amides	2
BasicNitrogens	1
StereoCon

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