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

Formula:C26H28N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[cyclohexyl-[(E)-3-phenylprop-2-enoyl]amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide is not a drug-like molecule.

MolName	3-[cyclohexyl-[(E)-3-phenylprop-2-enoyl]amino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
MolecularFormula	C26H28N4O2S
Smiles	O=C(CCN(C1CCCCC1)C(/C=C/c1ccccc1)=O)Nc1nnc(-c2ccccc2)s1
InChI	InChI=1S/C26H28N4O2S/c31-23(27-26-29-28-25(33-26)21-12-6-2-7-13-21)18-19-30(22-14-8-3-9-15-22)24(32)17-16-20-10-4-1-5-11-20/h1-2,4-7,10-13,16-17,22H,3,8-9,14-15,18-19H2,(H,27,29,31)
InChIK	FMYQHVMWIIIVTM-UHFFFAOYSA-N
TotalMolweight	460.6
Molweight	460.6
MonoisotopicMass	460.193296
CLogP	5.1646
CLogS	-5.251
H Acceptors	6
H Donors	1
TotalSurfaceArea	365.32
Relative PSA	0.22827
PolarSurfaceArea	103.43
Druglikeness	-0.19596
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	6
Amides	2
Aromatic Nitrogens	2
StereoCon

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