(E)-3-phenyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioyl)prop-2-enamide

Formula:C21H19N3OS Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-phenyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-phenyl-N-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbothioyl)prop-2-enamide
MolecularFormula	C21H19N3OS
Smiles	O=C(/C=C/c1ccccc1)NC(N(CC1)Cc2c1c(cccc1)c1[nH]2)=S
InChI	InChI=1S/C21H19N3OS/c25-20(11-10-15-6-2-1-3-7-15)23-21(26)24-13-12-17-16-8-4-5-9-18(16)22-19(17)14-24/h1-11,22H,12-14H2,(H,23,25,26)
InChIK	PUQYRHLPYHOGIU-UHFFFAOYSA-N
TotalMolweight	361.468
Molweight	361.468
MonoisotopicMass	361.124882
CLogP	3.4838
CLogS	-4.395
H Acceptors	4
H Donors	2
TotalSurfaceArea	283.69
Relative PSA	0.24689
PolarSurfaceArea	80.22
Druglikeness	2.4017
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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