2-[(E)-1-(benzenesulfonyl)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-phenylsulfanyl-1H-indole

Formula:C29H21NO4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(E)-1-(benzenesulfonyl)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-phenylsulfanyl-1H-indole is not a drug-like molecule.

MolName	2-[(E)-1-(benzenesulfonyl)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-phenylsulfanyl-1H-indole
MolecularFormula	C29H21NO4S2
Smiles	O=S(/C(/c([nH]c1c2cccc1)c2Sc1ccccc1)=C/c(cc1)cc2c1OCO2)(c1ccccc1)=O
InChI	InChI=1S/C29H21NO4S2/c31-36(32,22-11-5-2-6-12-22)27(18-20-15-16-25-26(17-20)34-19-33-25)28-29(35-21-9-3-1-4-10-21)23-13-7-8-14-24(23)30-28/h1-18,30H,19H2
InChIK	JWDCNVFEJAVAGT-UHFFFAOYSA-N
TotalMolweight	511.621
Molweight	511.621
MonoisotopicMass	511.091199
CLogP	6.1233
CLogS	-6.827
H Acceptors	5
H Donors	1
TotalSurfaceArea	367.75
Relative PSA	0.2177
PolarSurfaceArea	102.07
Druglikeness	-5.6608
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.38889
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	5
Symmetricatoms	5
Aromatic Nitrogens	1
StereoCon

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