[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanoate

Formula:C14H13N6O4F3 Mutagenic:high Tumorigenic:none Reproductive Effective:low [(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanoate is a drug-like molecule.

MolName	[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanoate
MolecularFormula	C14H13N6O4F3
Smiles	N/C(/c1nonc1N)=N\OC(CC(c1ccccc1)NC(C(F)(F)F)=O)=O
InChI	InChI=1S/C14H13F3N6O4/c15-14(16,17)13(25)20-8(7-4-2-1-3-5-7)6-9(24)26-22-11(18)10-12(19)23-27-21-10/h1-5,8H,6H2,(H2,18,22)(H2,19,23)(H,20,25)/t8-/m0/s1
InChIK	MPDYMYSKZGRRTO-QMMMGPOBSA-N
TotalMolweight	386.289
Molweight	386.289
MonoisotopicMass	386.095038
CLogP	1.1886
CLogS	-3.105
H Acceptors	10
H Donors	3
TotalSurfaceArea	272.92
Relative PSA	0.46035
PolarSurfaceArea	158.72
Druglikeness	-28.355
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	13
Electronegative Atoms	13
StereoCenters	1
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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1 - [(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanoate | 2 - [(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 3-phenyl-3-[(2,2,2-trifluoroacetyl)amino]propanoate

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