5-[(2-hydroxyphenyl)methylidene]-1-[(2-oxo-2-phenothiazin-10-ylethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C31H22N4O4S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 5-[(2-hydroxyphenyl)methylidene]-1-[(2-oxo-2-phenothiazin-10-ylethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.

MolName	5-[(2-hydroxyphenyl)methylidene]-1-[(2-oxo-2-phenothiazin-10-ylethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C31H22N4O4S2
Smiles	Oc1c(C=C(C(N(c2ccccc2)C(N2NCC(N3c(cccc4)c4Sc4c3cccc4)=O)=S)=O)C2=O)cccc1
InChI	InChI=1S/C31H22N4O4S2/c36-25-15-7-4-10-20(25)18-22-29(38)33(21-11-2-1-3-12-21)31(40)35(30(22)39)32-19-28(37)34-23-13-5-8-16-26(23)41-27-17-9-6-14-24(27)34/h1-18,32,36H,19H2
InChIK	QGUIBHBPYYSHQM-UHFFFAOYSA-N
TotalMolweight	578.672
Molweight	578.672
MonoisotopicMass	578.108246
CLogP	4.3292
CLogS	-7.377
H Acceptors	8
H Donors	2
TotalSurfaceArea	416.17
Relative PSA	0.28791
PolarSurfaceArea	150.58
Druglikeness	4.727
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.39024
Fragments	1
Non HAtoms	41
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	5
Symmetricatoms	8
Amides	2
StereoCon

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1 - 5-[(2-hydroxyphenyl)methylidene]-1-[(2-oxo-2-phenothiazin-10-ylethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - 5-[(2-hydroxyphenyl)methylidene]-1-[(2-oxo-2-phenothiazin-10-ylethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

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