3-[5-[(Z)-[3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]furan-2-yl]benzoic acid

Formula:C27H22N2O4S Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[5-[(Z)-[3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]furan-2-yl]benzoic acid is not a drug-like molecule.

MolName	3-[5-[(Z)-[3-(phenylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]furan-2-yl]benzoic acid
MolecularFormula	C27H22N2O4S
Smiles	OC(c1cccc(-c2ccc(/C=N\c3c(C(Nc4ccccc4)=O)c(CCCC4)c4s3)o2)c1)=O
InChI	InChI=1S/C27H22N2O4S/c30-25(29-19-9-2-1-3-10-19)24-21-11-4-5-12-23(21)34-26(24)28-16-20-13-14-22(33-20)17-7-6-8-18(15-17)27(31)32/h1-3,6-10,13-16H,4-5,11-12H2,(H,29,30)(H,31,32)
InChIK	NCTBIGCVQRREER-UHFFFAOYSA-N
TotalMolweight	470.548
Molweight	470.548
MonoisotopicMass	470.130028
CLogP	5.8179
CLogS	-7.395
H Acceptors	6
H Donors	2
TotalSurfaceArea	357.78
Relative PSA	0.27005
PolarSurfaceArea	120.14
Druglikeness	0.81226
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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