N-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

Formula:C23H23N3O2F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is a drug-like molecule.

MolName	N-(2,4-difluorophenyl)-4-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
MolecularFormula	C23H23N3O2F2S
Smiles	O=C(/C=C/c1ccccc1)N1C(CC2)(CCN2C(Nc(ccc(F)c2)c2F)=O)SCC1
InChI	InChI=1S/C23H23F2N3O2S/c24-18-7-8-20(19(25)16-18)26-22(30)27-12-10-23(11-13-27)28(14-15-31-23)21(29)9-6-17-4-2-1-3-5-17/h1-9,16H,10-15H2,(H,26,30)
InChIK	DFOOTCJBYVVWIU-UHFFFAOYSA-N
TotalMolweight	443.517
Molweight	443.517
MonoisotopicMass	443.147903
CLogP	4.8192
CLogS	-5.717
H Acceptors	5
H Donors	1
TotalSurfaceArea	323.24
Relative PSA	0.19221
PolarSurfaceArea	77.95
Druglikeness	2.731
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
Amides	3
StereoCon

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