N-phenyl-4-[[5-[[(E)-3-phenylprop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide

Formula:C25H20N4O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-phenyl-4-[[5-[[(E)-3-phenylprop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide is not a drug-like molecule.

MolName	N-phenyl-4-[[5-[[(E)-3-phenylprop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide
MolecularFormula	C25H20N4O2S2
Smiles	O=C(/C=C/c1ccccc1)Nc1nnc(SCc(cc2)ccc2C(Nc2ccccc2)=O)s1
InChI	InChI=1S/C25H20N4O2S2/c30-22(16-13-18-7-3-1-4-8-18)27-24-28-29-25(33-24)32-17-19-11-14-20(15-12-19)23(31)26-21-9-5-2-6-10-21/h1-16H,17H2,(H,26,31)(H,27,28,30)
InChIK	PNEGIUYEWQNXLH-UHFFFAOYSA-N
TotalMolweight	472.592
Molweight	472.592
MonoisotopicMass	472.102766
CLogP	5.5829
CLogS	-7.218
H Acceptors	6
H Donors	2
TotalSurfaceArea	362.17
Relative PSA	0.30038
PolarSurfaceArea	137.52
Druglikeness	1.8172
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69697
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Amides	2
Aromatic Nitrogens	2
StereoCon

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