(1E)-2-amino-N-[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-2-oxoethanimidoyl cyanide

Formula:C17H15N5O3S Mutagenic:none Tumorigenic:none Reproductive Effective:low (1E)-2-amino-N-[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-2-oxoethanimidoyl cyanide is a drug-like molecule.

MolName	(1E)-2-amino-N-[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-2-oxoethanimidoyl cyanide
MolecularFormula	C17H15N5O3S
Smiles	NC(/C(/C#N)=N/Nc(cc1)ccc1S(N(CC1)c2c1cccc2)(=O)=O)=O
InChI	InChI=1S/C17H15N5O3S/c18-11-15(17(19)23)21-20-13-5-7-14(8-6-13)26(24,25)22-10-9-12-3-1-2-4-16(12)22/h1-8,20H,9-10H2,(H2,19,23)
InChIK	PIRNAONYPZJFQF-UHFFFAOYSA-N
TotalMolweight	369.404
Molweight	369.404
MonoisotopicMass	369.08956
CLogP	1.8147
CLogS	-3.606
H Acceptors	8
H Donors	2
TotalSurfaceArea	268.33
Relative PSA	0.36138
PolarSurfaceArea	137.03
Druglikeness	1.9014
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	3
Amides	2
StereoCon

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