N-phenyl-2-(19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-ylsulfanyl)acetamide

Formula:C20H17N7OS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-phenyl-2-(19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-ylsulfanyl)acetamide is a drug-like molecule.

MolName	N-phenyl-2-(19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-ylsulfanyl)acetamide
MolecularFormula	C20H17N7OS2
Smiles	O=C(CSc(n12)nnc1n1ncnc1c1c2sc2c1CCCC2)Nc1ccccc1
InChI	InChI=1S/C20H17N7OS2/c28-15(23-12-6-2-1-3-7-12)10-29-20-25-24-19-26(20)18-16(17-21-11-22-27(17)19)13-8-4-5-9-14(13)30-18/h1-3,6-7,11H,4-5,8-10H2,(H,23,28)
InChIK	XCMOHAOTAARUNH-UHFFFAOYSA-N
TotalMolweight	435.535
Molweight	435.535
MonoisotopicMass	435.093598
CLogP	2.6892
CLogS	-6.534
H Acceptors	8
H Donors	1
TotalSurfaceArea	311.1
Relative PSA	0.39257
PolarSurfaceArea	143.02
Druglikeness	1.248
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	21
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	6
StereoCon

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1 - N-phenyl-2-(19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-ylsulfanyl)acetamide | 2 - N-phenyl-2-(19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-ylsulfanyl)acetamide

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