[4-[[4-chloro-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

Formula:C32H36N5O3ClS Mutagenic:none Tumorigenic:high Reproductive Effective:none [4-[[4-chloro-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is not a drug-like molecule.

MolName	[4-[[4-chloro-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
MolecularFormula	C32H36N5O3ClS
Smiles	O=C(c1ccc(CSc2nc(N(CC3)CCC33OCCO3)cc(Cl)n2)cc1)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C32H36ClN5O3S/c33-28-23-29(37-15-12-32(13-16-37)40-21-22-41-32)35-31(34-28)42-24-26-8-10-27(11-9-26)30(39)38-19-17-36(18-20-38)14-4-7-25-5-2-1-3-6-25/h1-11,23H,12-22,24H2
InChIK	LQYJUNZVMPNXMN-UHFFFAOYSA-N
TotalMolweight	606.189
Molweight	606.189
MonoisotopicMass	605.222737
CLogP	5.3041
CLogS	-5.564
H Acceptors	8
TotalSurfaceArea	453.39
Relative PSA	0.18333
PolarSurfaceArea	96.33
Druglikeness	3.0757
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	42
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	17
Symmetricatoms	10
Amides	1
Amines	1
AlkylAmines	1
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

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1 - [4-[[4-chloro-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone | 2 - [4-[[4-chloro-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

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