(5E)-1-[4-(1-adamantyl)phenyl]-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C31H26N2O4BrClS Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-1-[4-(1-adamantyl)phenyl]-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.

MolName	(5E)-1-[4-(1-adamantyl)phenyl]-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C31H26N2O4BrClS
Smiles	O=C(/C(/C(N1c2ccc(C3(CC(C4)C5)CC5CC4C3)cc2)=O)=C\c(o2)cc(Br)c2Sc(cc2)ccc2Cl)NC1=O
InChI	InChI=1S/C31H26BrClN2O4S/c32-26-13-23(39-29(26)40-24-7-3-21(33)4-8-24)12-25-27(36)34-30(38)35(28(25)37)22-5-1-20(2-6-22)31-14-17-9-18(15-31)11-19(10-17)16-31/h1-8,12-13,17-19H,9-11,14-16H2,(H,34,36,38)
InChIK	CKWMDQTVQKPGEN-UHFFFAOYSA-N
TotalMolweight	637.98
Molweight	637.98
MonoisotopicMass	636.048516
CLogP	6.7241
CLogS	-9.396
H Acceptors	6
H Donors	1
TotalSurfaceArea	410.2
Relative PSA	0.209
PolarSurfaceArea	104.92
Druglikeness	-0.18769
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.525
Fragments	1
Non HAtoms	40
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	7
Small Rings	8
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	11
Symmetricatoms	10
Amides	2
StereoCon

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1 - (5E)-1-[4-(1-adamantyl)phenyl]-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-diazinane-2,4,6-trione | 2 - (5E)-1-[4-(1-adamantyl)phenyl]-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-diazinane-2,4,6-trione

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