(15R,19S)-17-(1,3-benzodioxol-5-yl)-1-ethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

Formula:C27H21NO4 Mutagenic:none Tumorigenic:none Reproductive Effective:high (15R,19S)-17-(1,3-benzodioxol-5-yl)-1-ethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is a drug-like molecule.

MolName	(15R,19S)-17-(1,3-benzodioxol-5-yl)-1-ethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
MolecularFormula	C27H21NO4
Smiles	CCC([C@@H]([C@H](C12)C(N3c(cc4)cc5c4OCO5)=O)C3=O)(c3c2cccc3)c2c1cccc2
InChI	InChI=1S/C27H21NO4/c1-2-27-18-9-5-3-7-16(18)22(17-8-4-6-10-19(17)27)23-24(27)26(30)28(25(23)29)15-11-12-20-21(13-15)32-14-31-20/h3-13,22-24H,2,14H2,1H3/t22?,23-,24-,27?/m0/s1
InChIK	MLOFKPXVBGCWBW-ZCOIRKDISA-N
TotalMolweight	423.467
Molweight	423.467
MonoisotopicMass	423.147059
CLogP	4.2285
CLogS	-5.62
H Acceptors	5
TotalSurfaceArea	292.27
Relative PSA	0.16981
PolarSurfaceArea	55.84
Druglikeness	2.5028
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.375
Fragments	1
Non HAtoms	32
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	2
Rotatable Bond	2
Rings Closures	7
Small Rings	8
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	9
Symmetricatoms	6
Amides	1
StereoCon	this enantiomer

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1 - (15R,19S)-17-(1,3-benzodioxol-5-yl)-1-ethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione | 2 - (15R,19S)-17-(1,3-benzodioxol-5-yl)-1-ethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

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