2-[3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl]-3-(1H-indol-3-yl)propanoic acid

Formula:C25H19N3O5S2 Mutagenic:high Tumorigenic:high Reproductive Effective:low 2-[3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl]-3-(1H-indol-3-yl)propanoic acid is not a drug-like molecule.

MolName	2-[3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl]-3-(1H-indol-3-yl)propanoic acid
MolecularFormula	C25H19N3O5S2
Smiles	OC(C(Cc1c[nH]c2c1cccc2)N(C(CC1N(C(/C(/S2)=C/c3ccccc3)=O)C2=S)=O)C1=O)=O
InChI	InChI=1S/C25H19N3O5S2/c29-21-12-18(28-23(31)20(35-25(28)34)10-14-6-2-1-3-7-14)22(30)27(21)19(24(32)33)11-15-13-26-17-9-5-4-8-16(15)17/h1-10,13,18-19,26H,11-12H2,(H,32,33)
InChIK	UFSPCLDSVZOQPY-UHFFFAOYSA-N
TotalMolweight	505.574
Molweight	505.574
MonoisotopicMass	505.076612
CLogP	1.3944
CLogS	-4.832
H Acceptors	8
H Donors	2
TotalSurfaceArea	355.57
Relative PSA	0.37078
PolarSurfaceArea	168.17
Druglikeness	2.2182
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	2
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	7
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon	unknown chirality

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1 - 2-[3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl]-3-(1H-indol-3-yl)propanoic acid | 2 - 2-[3-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl]-3-(1H-indol-3-yl)propanoic acid

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