3-[(5Z)-4-oxo-5-[[4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Formula:C25H23N5O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(5Z)-4-oxo-5-[[4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid is not a drug-like molecule.

MolName	3-[(5Z)-4-oxo-5-[[4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
MolecularFormula	C25H23N5O4S2
Smiles	OC(CCN(C(/C(/S1)=C/C2=C(N(CC3)CCN3c3ccccc3)N=C(C=CC=C3)N3C2=O)=O)C1=S)=O
InChI	InChI=1S/C25H23N5O4S2/c31-21(32)9-11-30-24(34)19(36-25(30)35)16-18-22(26-20-8-4-5-10-29(20)23(18)33)28-14-12-27(13-15-28)17-6-2-1-3-7-17/h1-8,10,16H,9,11-15H2,(H,31,32)
InChIK	KYMQOTKSALJZDJ-UHFFFAOYSA-N
TotalMolweight	521.621
Molweight	521.621
MonoisotopicMass	521.119145
CLogP	0.6303
CLogS	-4.549
H Acceptors	9
H Donors	1
TotalSurfaceArea	376.42
Relative PSA	0.32788
PolarSurfaceArea	154.15
Druglikeness	7.4282
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Symmetricatoms	4
Amides	2
Amines	1
Aromatic Amines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - 3-[(5Z)-4-oxo-5-[[4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid | 2 - 3-[(5Z)-4-oxo-5-[[4-oxo-2-(4-phenylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

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