bis[(3E)-3-[(4-bromophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-morpholin-4-yl-sulfanylidene-lambda5-phosphane

Formula:C36H42N3O3Br2PS Mutagenic:high Tumorigenic:high Reproductive Effective:high bis[(3E)-3-[(4-bromophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-morpholin-4-yl-sulfanylidene-lambda5-phosphane is not a drug-like molecule.

MolName	bis[(3E)-3-[(4-bromophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-morpholin-4-yl-sulfanylidene-lambda5-phosphane
MolecularFormula	C36H42N3O3Br2PS
Smiles	S=P(C(CC/C1=C\c(cc2)ccc2Br)=C1N1CCOCC1)(C(CC/C1=C\c(cc2)ccc2Br)=C1N1CCOCC1)N1CCOCC1
InChI	InChI=1S/C36H42Br2N3O3PS/c37-31-7-1-27(2-8-31)25-29-5-11-33(35(29)39-13-19-42-20-14-39)45(46,41-17-23-44-24-18-41)34-12-6-30(26-28-3-9-32(38)10-4-28)36(34)40-15-21-43-22-16-40/h1-4,7-10,25-26H,5-6,11-24H2
InChIK	JCTAUETXYBABCS-UHFFFAOYSA-N
TotalMolweight	787.595
Molweight	787.595
MonoisotopicMass	785.105121
CLogP	7.2971
CLogS	-8.216
H Acceptors	6
TotalSurfaceArea	517.83
Relative PSA	0.14026
PolarSurfaceArea	79.31
Druglikeness	-14.194
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions
Shape Index	0.41304
Fragments	1
Non HAtoms	46
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	7
Small Rings	7
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	21
Symmetricatoms	25
StereoCon

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1 - bis[(3E)-3-[(4-bromophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-morpholin-4-yl-sulfanylidene-lambda5-phosphane | 2 - bis[(3E)-3-[(4-bromophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]-morpholin-4-yl-sulfanylidene-lambda5-phosphane

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