1-[(5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-benzylthiourea

Formula:C27H22N6OS2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-benzylthiourea is not a drug-like molecule.

MolName	1-[(5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonyl)amino]-3-benzylthiourea
MolecularFormula	C27H22N6OS2
Smiles	Nc1c(C(NNC(NCc2ccccc2)=S)=O)sc2c1c(-c1ccccc1)c(-c1ccccc1)nn2
InChI	InChI=1S/C27H22N6OS2/c28-22-21-20(18-12-6-2-7-13-18)23(19-14-8-3-9-15-19)30-32-26(21)36-24(22)25(34)31-33-27(35)29-16-17-10-4-1-5-11-17/h1-15H,16,28H2,(H,31,34)(H2,29,33,35)
InChIK	DGZFXQKDCFLANQ-UHFFFAOYSA-N
TotalMolweight	510.645
Molweight	510.645
MonoisotopicMass	510.129649
CLogP	3.7375
CLogS	-8.496
H Acceptors	7
H Donors	4
TotalSurfaceArea	387.72
Relative PSA	0.34301
PolarSurfaceArea	165.29
Druglikeness	3.7868
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	3
Symmetricatoms	6
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
StereoCon

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