11-[(5Z)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Formula:C28H32N4O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 11-[(5Z)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid is not a drug-like molecule.

MolName	11-[(5Z)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
MolecularFormula	C28H32N4O5S2
Smiles	OC(CCCCCCCCCCN(C(/C(/S1)=C/C2=C(NCc3ccco3)N=C(C=CC=C3)N3C2=O)=O)C1=S)=O
InChI	InChI=1S/C28H32N4O5S2/c33-24(34)14-7-5-3-1-2-4-6-9-16-32-27(36)22(39-28(32)38)18-21-25(29-19-20-12-11-17-37-20)30-23-13-8-10-15-31(23)26(21)35/h8,10-13,15,17-18,29H,1-7,9,14,16,19H2,(H,33,34)
InChIK	UAOKVXMOWGQCML-UHFFFAOYSA-N
TotalMolweight	568.717
Molweight	568.717
MonoisotopicMass	568.181411
CLogP	3.0322
CLogS	-6.662
H Acceptors	9
H Donors	2
TotalSurfaceArea	439.27
Relative PSA	0.32301
PolarSurfaceArea	172.84
Druglikeness	-5.1176
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.58974
Fragments	1
Non HAtoms	39
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	15
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	14
Amides	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - 11-[(5Z)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid | 2 - 11-[(5Z)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Request More Details | 11-[(5Z)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

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