2,7-bis[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonyl]fluoren-9-one

Formula:C39H40N4O5S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2,7-bis[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonyl]fluoren-9-one is not a drug-like molecule.

MolName	2,7-bis[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]sulfonyl]fluoren-9-one
MolecularFormula	C39H40N4O5S2
Smiles	O=C1c(cc(cc2)S(N3CCN(C/C=C/c4ccccc4)CC3)(=O)=O)c2-c(cc2)c1cc2S(N1CCN(C/C=C/c2ccccc2)CC1)(=O)=O
InChI	InChI=1S/C39H40N4O5S2/c44-39-37-29-33(49(45,46)42-25-21-40(22-26-42)19-7-13-31-9-3-1-4-10-31)15-17-35(37)36-18-16-34(30-38(36)39)50(47,48)43-27-23-41(24-28-43)20-8-14-32-11-5-2-6-12-32/h1-18,29-30H,19-28H2
InChIK	WNJQQMHFGBVYQM-UHFFFAOYSA-N
TotalMolweight	708.902
Molweight	708.902
MonoisotopicMass	708.244011
CLogP	5.8389
CLogS	-5.812
H Acceptors	9
TotalSurfaceArea	518.75
Relative PSA	0.1627
PolarSurfaceArea	115.07
Druglikeness	4.4033
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62
Fragments	1
Non HAtoms	50
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	7
Small Rings	7
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	14
Symmetricatoms	29
Amides	2
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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