N-(2-fluorophenyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide

Formula:C33H29N4O3F Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2-fluorophenyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide is not a drug-like molecule.

MolName	N-(2-fluorophenyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
MolecularFormula	C33H29N4O3F
Smiles	O=C(/C=C/c1ccccc1)Nc(cc(cc1)C(Nc(cccc2)c2F)=O)c1N(CC(C1)CN23)CC1C3=CC=CC2=O
InChI	InChI=1S/C33H29FN4O3/c34-26-9-4-5-10-27(26)36-33(41)24-14-15-30(28(18-24)35-31(39)16-13-22-7-2-1-3-8-22)37-19-23-17-25(21-37)29-11-6-12-32(40)38(29)20-23/h1-16,18,23,25H,17,19-21H2,(H,35,39)(H,36,41)
InChIK	OXVDMZWWIQMPBT-UHFFFAOYSA-N
TotalMolweight	548.616
Molweight	548.616
MonoisotopicMass	548.222369
CLogP	4.8574
CLogS	-6.495
H Acceptors	7
H Donors	2
TotalSurfaceArea	413.15
Relative PSA	0.16735
PolarSurfaceArea	81.75
Druglikeness	2.2825
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.41463
Fragments	1
Non HAtoms	41
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	2
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	2
Amides	3
Amines	1
Aromatic Amines	1
StereoCon	unknown chirality

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1 - N-(2-fluorophenyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide | 2 - N-(2-fluorophenyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide

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