(1S,9S)-N-(3-acetylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

Formula:C20H21N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1S,9S)-N-(3-acetylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is a drug-like molecule.

MolName	(1S,9S)-N-(3-acetylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
MolecularFormula	C20H21N3O3
Smiles	CC(c1cccc(NC(N(C[C@@H](C2)CN34)C[C@H]2C4=CC=CC3=O)=O)c1)=O
InChI	InChI=1S/C20H21N3O3/c1-13(24)15-4-2-5-17(9-15)21-20(26)22-10-14-8-16(12-22)18-6-3-7-19(25)23(18)11-14/h2-7,9,14,16H,8,10-12H2,1H3,(H,21,26)/t14-,16-/m0/s1
InChIK	DYEAGJDJHRJTEK-HOCLYGCPSA-N
TotalMolweight	351.405
Molweight	351.405
MonoisotopicMass	351.158292
CLogP	2.0028
CLogS	-3.594
H Acceptors	6
H Donors	1
TotalSurfaceArea	261.58
Relative PSA	0.22051
PolarSurfaceArea	69.72
Druglikeness	3.6803
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	2
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Amides	3
StereoCon	this enantiomer

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1 - (1S,9S)-N-(3-acetylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide | 2 - (1S,9S)-N-(3-acetylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

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