2-[2-[(Z)-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]iminomethyl]pyrrol-1-yl]acetic acid

Formula:C15H19N5O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]iminomethyl]pyrrol-1-yl]acetic acid is a drug-like molecule.

MolName	2-[2-[(Z)-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]iminomethyl]pyrrol-1-yl]acetic acid
MolecularFormula	C15H19N5O2S
Smiles	OC(Cn1c(/C=N\c2nnc(N3CCCCCC3)s2)ccc1)=O
InChI	InChI=1S/C15H19N5O2S/c21-13(22)11-20-9-5-6-12(20)10-16-14-17-18-15(23-14)19-7-3-1-2-4-8-19/h5-6,9-10H,1-4,7-8,11H2,(H,21,22)
InChIK	SNHROBYCGCDSHZ-UHFFFAOYSA-N
TotalMolweight	333.415
Molweight	333.415
MonoisotopicMass	333.125945
CLogP	1.7356
CLogS	-2.521
H Acceptors	7
H Donors	1
TotalSurfaceArea	257.66
Relative PSA	0.35073
PolarSurfaceArea	111.85
Druglikeness	-5.0007
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	8
Symmetricatoms	3
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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