N-[5-[(E)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-cyanoethenyl]-1,3,4-thiadiazol-2-yl]benzamide

Formula:C27H18N5OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[5-[(E)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-cyanoethenyl]-1,3,4-thiadiazol-2-yl]benzamide is not a drug-like molecule.

MolName	N-[5-[(E)-2-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-cyanoethenyl]-1,3,4-thiadiazol-2-yl]benzamide
MolecularFormula	C27H18N5OClS
Smiles	N#C/C(/c1nnc(NC(c2ccccc2)=O)s1)=C\c1cn(Cc(cccc2)c2Cl)c2c1cccc2
InChI	InChI=1S/C27H18ClN5OS/c28-23-12-6-4-10-19(23)16-33-17-21(22-11-5-7-13-24(22)33)14-20(15-29)26-31-32-27(35-26)30-25(34)18-8-2-1-3-9-18/h1-14,17H,16H2,(H,30,32,34)
InChIK	OXRWVPOSCDHXLU-UHFFFAOYSA-N
TotalMolweight	495.993
Molweight	495.993
MonoisotopicMass	495.092057
CLogP	5.4588
CLogS	-6.062
H Acceptors	6
H Donors	1
TotalSurfaceArea	374.61
Relative PSA	0.23286
PolarSurfaceArea	111.84
Druglikeness	1.3263
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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