2-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C35H29N3OS Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.

MolName	2-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C35H29N3OS
Smiles	O=C(c1c(/N=C\c2cn(Cc3cccc4ccccc34)c3c2cccc3)sc2c1CCCC2)Nc1ccccc1
InChI	InChI=1S/C35H29N3OS/c39-34(37-27-14-2-1-3-15-27)33-30-18-7-9-20-32(30)40-35(33)36-21-26-23-38(31-19-8-6-17-29(26)31)22-25-13-10-12-24-11-4-5-16-28(24)25/h1-6,8,10-17,19,21,23H,7,9,18,20,22H2,(H,37,39)
InChIK	PPZCBIFQZFDRCC-UHFFFAOYSA-N
TotalMolweight	539.701
Molweight	539.701
MonoisotopicMass	539.203132
CLogP	8.118
CLogS	-8.506
H Acceptors	4
H Donors	1
TotalSurfaceArea	416.15
Relative PSA	0.15196
PolarSurfaceArea	74.63
Druglikeness	0.89172
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.475
Fragments	1
Non HAtoms	40
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	7
Small Rings	7
Aromatic Rings	6
Aromatic Atoms	30
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - 2-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - 2-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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