N-(1-adamantyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide

Formula:C27H27N3O4F2S Mutagenic:high Tumorigenic:none Reproductive Effective:none N-(1-adamantyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide is not a drug-like molecule.

MolName	N-(1-adamantyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide
MolecularFormula	C27H27N3O4F2S
Smiles	O=C(CSC(N(C1=O)c(cc2)ccc2OC(F)F)=N/C1=C/c1ccco1)NC1(CC(C2)C3)CC3CC2C1
InChI	InChI=1S/C27H27F2N3O4S/c28-25(29)36-20-5-3-19(4-6-20)32-24(34)22(11-21-2-1-7-35-21)30-26(32)37-15-23(33)31-27-12-16-8-17(13-27)10-18(9-16)14-27/h1-7,11,16-18,25H,8-10,12-15H2,(H,31,33)
InChIK	QUNROJPHDSMAAN-UHFFFAOYSA-N
TotalMolweight	527.59
Molweight	527.59
MonoisotopicMass	527.169033
CLogP	3.7814
CLogS	-7.242
H Acceptors	7
H Donors	1
TotalSurfaceArea	370.57
Relative PSA	0.2542
PolarSurfaceArea	109.44
Druglikeness	2.0511
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45946
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	6
Small Rings	7
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	14
Symmetricatoms	9
Amides	2
StereoCon

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1 - N-(1-adamantyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide | 2 - N-(1-adamantyl)-2-[(4E)-1-[4-(difluoromethoxy)phenyl]-4-(furan-2-ylmethylidene)-5-oxoimidazol-2-yl]sulfanylacetamide

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