(5Z)-3-cyclopentyl-5-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C27H26N5O2FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-cyclopentyl-5-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5Z)-3-cyclopentyl-5-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C27H26N5O2FS2
Smiles	O=C(/C(/S1)=C/C2=C(N(CC3)CCN3c(cccc3)c3F)N=C(C=CC=C3)N3C2=O)N(C2CCCC2)C1=S
InChI	InChI=1S/C27H26FN5O2S2/c28-20-9-3-4-10-21(20)30-13-15-31(16-14-30)24-19(25(34)32-12-6-5-11-23(32)29-24)17-22-26(35)33(27(36)37-22)18-7-1-2-8-18/h3-6,9-12,17-18H,1-2,7-8,13-16H2
InChIK	DCXMORDPPKZCCI-UHFFFAOYSA-N
TotalMolweight	535.666
Molweight	535.666
MonoisotopicMass	535.151193
CLogP	2.4194
CLogS	-6.122
H Acceptors	7
TotalSurfaceArea	385.19
Relative PSA	0.25255
PolarSurfaceArea	116.85
Druglikeness	3.2887
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.45946
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	12
Symmetricatoms	4
Amides	2
Amines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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1 - (5Z)-3-cyclopentyl-5-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclopentyl-5-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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