1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide

Formula:C18H15N9O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
MolecularFormula	C18H15N9O4S
Smiles	NC(COc1ccc(/C=N\NC(c2c(-c3cccs3)n(-c3nonc3N)nn2)=O)cc1)=O
InChI	InChI=1S/C18H15N9O4S/c19-13(28)9-30-11-5-3-10(4-6-11)8-21-23-18(29)14-15(12-2-1-7-32-12)27(26-22-14)17-16(20)24-31-25-17/h1-8H,9H2,(H2,19,28)(H2,20,24)(H,23,29)
InChIK	JYRHQZICYOJCEK-UHFFFAOYSA-N
TotalMolweight	453.442
Molweight	453.442
MonoisotopicMass	453.096771
CLogP	2.1313
CLogS	-2.996
H Acceptors	13
H Donors	3
TotalSurfaceArea	334.93
Relative PSA	0.52193
PolarSurfaceArea	217.67
Druglikeness	3.7646
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide

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