2-[(E)-[1-(4-fluorophenyl)-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butylidene]amino]oxyacetic acid

Formula:C25H29N4O4F Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-[1-(4-fluorophenyl)-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butylidene]amino]oxyacetic acid is a drug-like molecule.

MolName	2-[(E)-[1-(4-fluorophenyl)-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butylidene]amino]oxyacetic acid
MolecularFormula	C25H29N4O4F
Smiles	OC(CO/N=C(\CCCN(CC1)CCC1(C(NC1)=O)N1c1ccccc1)/c(cc1)ccc1F)=O
InChI	InChI=1S/C25H29FN4O4/c26-20-10-8-19(9-11-20)22(28-34-17-23(31)32)7-4-14-29-15-12-25(13-16-29)24(33)27-18-30(25)21-5-2-1-3-6-21/h1-3,5-6,8-11H,4,7,12-18H2,(H,27,33)(H,31,32)
InChIK	VUVDQEDHMFSZPZ-UHFFFAOYSA-N
TotalMolweight	468.527
Molweight	468.527
MonoisotopicMass	468.217284
CLogP	2.0501
CLogS	-4.714
H Acceptors	8
H Donors	2
TotalSurfaceArea	353.5
Relative PSA	0.22419
PolarSurfaceArea	94.47
Druglikeness	10.19
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	6
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - 2-[(E)-[1-(4-fluorophenyl)-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butylidene]amino]oxyacetic acid | 2 - 2-[(E)-[1-(4-fluorophenyl)-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butylidene]amino]oxyacetic acid

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