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

Formula:C26H23N4O5F Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[3-[(E)-[1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is a drug-like molecule.

MolName	2-[3-[(E)-[1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
MolecularFormula	C26H23N4O5F
Smiles	O=C(Cn1c(cccc2)c2c(/C=C(\C(NC(N2c(cccc3)c3F)=O)=O)/C2=O)c1)NCC1OCCC1
InChI	InChI=1S/C26H23FN4O5/c27-20-8-2-4-10-22(20)31-25(34)19(24(33)29-26(31)35)12-16-14-30(21-9-3-1-7-18(16)21)15-23(32)28-13-17-6-5-11-36-17/h1-4,7-10,12,14,17H,5-6,11,13,15H2,(H,28,32)(H,29,33,35)/t17-/m1/s1
InChIK	BCFZPNUVGUYCGD-QGZVFWFLSA-N
TotalMolweight	490.49
Molweight	490.49
MonoisotopicMass	490.165249
CLogP	1.6616
CLogS	-4.546
H Acceptors	9
H Donors	2
TotalSurfaceArea	356.4
Relative PSA	0.26796
PolarSurfaceArea	109.74
Druglikeness	3.2179
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	7
Amides	3
Aromatic Nitrogens	1
StereoCon	racemate

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

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