2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-cyclohexylsulfanylpropyl)acetamide

Formula:C26H29N2O3ClS Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-cyclohexylsulfanylpropyl)acetamide is not a drug-like molecule.

MolName	2-[(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]-N-(3-cyclohexylsulfanylpropyl)acetamide
MolecularFormula	C26H29N2O3ClS
Smiles	O=C(CN(c(cccc1)c1O/C1=C/c(cccc2)c2Cl)C1=O)NCCCSC1CCCCC1
InChI	InChI=1S/C26H29ClN2O3S/c27-21-12-5-4-9-19(21)17-24-26(31)29(22-13-6-7-14-23(22)32-24)18-25(30)28-15-8-16-33-20-10-2-1-3-11-20/h4-7,9,12-14,17,20H,1-3,8,10-11,15-16,18H2,(H,28,30)
InChIK	LEIVANDCPJRKDM-UHFFFAOYSA-N
TotalMolweight	485.046
Molweight	485.046
MonoisotopicMass	484.15874
CLogP	5.1913
CLogS	-6.548
H Acceptors	5
H Donors	1
TotalSurfaceArea	367.24
Relative PSA	0.18674
PolarSurfaceArea	83.94
Druglikeness	0.95761
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	2
Amides	2
StereoCon

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