2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(2-phenylethyl)acetamide

Formula:C21H24N4O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(2-phenylethyl)acetamide is a drug-like molecule.

MolName	2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(2-phenylethyl)acetamide
MolecularFormula	C21H24N4O2S2
Smiles	CC(C)(C1)OCc(sc2n3)c1c2c(N)nc3SCC(NCCc1ccccc1)=O
InChI	InChI=1S/C21H24N4O2S2/c1-21(2)10-14-15(11-27-21)29-19-17(14)18(22)24-20(25-19)28-12-16(26)23-9-8-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,23,26)(H2,22,24,25)
InChIK	NILJCYPDDUTUHE-UHFFFAOYSA-N
TotalMolweight	428.58
Molweight	428.58
MonoisotopicMass	428.134066
CLogP	2.862
CLogS	-5.888
H Acceptors	6
H Donors	2
TotalSurfaceArea	316.53
Relative PSA	0.34613
PolarSurfaceArea	143.67
Druglikeness	1.3525
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	10
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - 2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(2-phenylethyl)acetamide | 2 - 2-[(3-amino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]-N-(2-phenylethyl)acetamide

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