N-(4-fluorophenyl)-2-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide

Formula:C26H19N4O5F Mutagenic:none Tumorigenic:none Reproductive Effective:high N-(4-fluorophenyl)-2-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.

MolName	N-(4-fluorophenyl)-2-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide
MolecularFormula	C26H19N4O5F
Smiles	O=C(Cn1c(cccc2)c2c(/C=C(\C(NC(N2Cc3ccco3)=O)=O)/C2=O)c1)Nc(cc1)ccc1F
InChI	InChI=1S/C26H19FN4O5/c27-17-7-9-18(10-8-17)28-23(32)15-30-13-16(20-5-1-2-6-22(20)30)12-21-24(33)29-26(35)31(25(21)34)14-19-4-3-11-36-19/h1-13H,14-15H2,(H,28,32)(H,29,33,35)
InChIK	ADUXVOJVBDDLEY-UHFFFAOYSA-N
TotalMolweight	486.458
Molweight	486.458
MonoisotopicMass	486.133949
CLogP	2.1821
CLogS	-4.528
H Acceptors	9
H Donors	2
TotalSurfaceArea	355.57
Relative PSA	0.28014
PolarSurfaceArea	113.65
Druglikeness	4.4813
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Symmetricatoms	2
Amides	3
Aromatic Nitrogens	1
StereoCon

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1 - N-(4-fluorophenyl)-2-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide | 2 - N-(4-fluorophenyl)-2-[3-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetamide

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