(E)-1,4-bis[4-(2-fluorophenyl)piperazin-1-yl]but-2-ene-1,4-dione

Formula:C24H26N4O2F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1,4-bis[4-(2-fluorophenyl)piperazin-1-yl]but-2-ene-1,4-dione is a drug-like molecule.

MolName	(E)-1,4-bis[4-(2-fluorophenyl)piperazin-1-yl]but-2-ene-1,4-dione
MolecularFormula	C24H26N4O2F2
Smiles	O=C(/C=C/C(N(CC1)CCN1c(cccc1)c1F)=O)N(CC1)CCN1c(cccc1)c1F
InChI	InChI=1S/C24H26F2N4O2/c25-19-5-1-3-7-21(19)27-11-15-29(16-12-27)23(31)9-10-24(32)30-17-13-28(14-18-30)22-8-4-2-6-20(22)26/h1-10H,11-18H2
InChIK	PBCKEUUBUGSDSJ-UHFFFAOYSA-N
TotalMolweight	440.492
Molweight	440.492
MonoisotopicMass	440.202382
CLogP	2.8704
CLogS	-2.962
H Acceptors	6
TotalSurfaceArea	332
Relative PSA	0.12133
PolarSurfaceArea	47.1
Druglikeness	4.2135
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	18
Amides	2
Amines	2
Aromatic Amines	2
StereoCon

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