(4E)-4-[[1-(3-phenoxypropyl)indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione

Formula:C27H23N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-[[1-(3-phenoxypropyl)indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.

MolName	(4E)-4-[[1-(3-phenoxypropyl)indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
MolecularFormula	C27H23N3O3
Smiles	O=C(/C(/C1=O)=C\c2cn(CCCOc3ccccc3)c3c2cccc3)NN1c1ccccc1
InChI	InChI=1S/C27H23N3O3/c31-26-24(27(32)30(28-26)21-10-3-1-4-11-21)18-20-19-29(25-15-8-7-14-23(20)25)16-9-17-33-22-12-5-2-6-13-22/h1-8,10-15,18-19H,9,16-17H2,(H,28,31)
InChIK	KLYZHBMMEDAERO-UHFFFAOYSA-N
TotalMolweight	437.498
Molweight	437.498
MonoisotopicMass	437.173942
CLogP	3.2449
CLogS	-4.303
H Acceptors	6
H Donors	1
TotalSurfaceArea	336.33
Relative PSA	0.17233
PolarSurfaceArea	63.57
Druglikeness	4.9817
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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