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

Formula:C26H27N4O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-[cyclohexyl-[(E)-3-phenylprop-2-enoyl]amino]propanamide is not a drug-like molecule.

MolName	N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-[cyclohexyl-[(E)-3-phenylprop-2-enoyl]amino]propanamide
MolecularFormula	C26H27N4O2ClS
Smiles	O=C(CCN(C1CCCCC1)C(/C=C/c1ccccc1)=O)Nc1nnc(-c2cccc(Cl)c2)s1
InChI	InChI=1S/C26H27ClN4O2S/c27-21-11-7-10-20(18-21)25-29-30-26(34-25)28-23(32)16-17-31(22-12-5-2-6-13-22)24(33)15-14-19-8-3-1-4-9-19/h1,3-4,7-11,14-15,18,22H,2,5-6,12-13,16-17H2,(H,28,30,32)
InChIK	HQUWGHGXIXHRLQ-UHFFFAOYSA-N
TotalMolweight	495.045
Molweight	495.045
MonoisotopicMass	494.154323
CLogP	5.7706
CLogS	-5.987
H Acceptors	6
H Donors	1
TotalSurfaceArea	380.74
Relative PSA	0.21902
PolarSurfaceArea	103.43
Druglikeness	-0.15009
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	2
StereoCon

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