1-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-3-phenylthiourea

Formula:C20H22N4O3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-3-phenylthiourea is a drug-like molecule.

MolName	1-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-3-phenylthiourea
MolecularFormula	C20H22N4O3S
Smiles	O=C(COc1ccc(/C=N\NC(Nc2ccccc2)=S)cc1)N1CCOCC1
InChI	InChI=1S/C20H22N4O3S/c25-19(24-10-12-26-13-11-24)15-27-18-8-6-16(7-9-18)14-21-23-20(28)22-17-4-2-1-3-5-17/h1-9,14H,10-13,15H2,(H2,22,23,28)
InChIK	VIEVXVJRPWNADJ-UHFFFAOYSA-N
TotalMolweight	398.486
Molweight	398.486
MonoisotopicMass	398.141261
CLogP	2.8414
CLogS	-3.811
H Acceptors	7
H Donors	2
TotalSurfaceArea	316.76
Relative PSA	0.3126
PolarSurfaceArea	107.28
Druglikeness	4.8769
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.71429
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	6
Amides	1
StereoCon

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