1-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]thiourea

Formula:C26H26N4O4S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]thiourea is not a drug-like molecule.

MolName	1-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]thiourea
MolecularFormula	C26H26N4O4S2
Smiles	O=S(c(cc1)ccc1NC(N/N=C(/C1)\c(cccc2)c2OC1c1ccccc1)=S)(N1CCOCC1)=O
InChI	InChI=1S/C26H26N4O4S2/c31-36(32,30-14-16-33-17-15-30)21-12-10-20(11-13-21)27-26(35)29-28-23-18-25(19-6-2-1-3-7-19)34-24-9-5-4-8-22(23)24/h1-13,25H,14-18H2,(H2,27,29,35)/t25-/m1/s1
InChIK	DEDSNFHSSMTZBM-RUZDIDTESA-N
TotalMolweight	522.648
Molweight	522.648
MonoisotopicMass	522.139546
CLogP	4.2349
CLogS	-5.115
H Acceptors	8
H Donors	2
TotalSurfaceArea	384.56
Relative PSA	0.2979
PolarSurfaceArea	132.73
Druglikeness	6.0195
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	10
Symmetricatoms	7
Amides	1
StereoCon	racemate

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1 - 1-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]thiourea | 2 - 1-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]thiourea

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