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13-amino-8-morpholin-4-yl-11,14-dithia-16-aza-9-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,16-pentaene-15-thione

Formula:C17H19N4OS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 13-amino-8-morpholin-4-yl-11,14-dithia-16-aza-9-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,16-pentaene-15-thione is a drug-like molecule.
MolName13-amino-8-morpholin-4-yl-11,14-dithia-16-aza-9-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12,16-pentaene-15-thione
MolecularFormulaC17H19N4OS3
SmilesNC(S1)=C2Sc3[nH+]c(N4CCOCC4)c(CCCC4)c4c3C2=NC1=S
InChIInChI=1S/C17H18N4OS3/c18-14-13-12(19-17(23)25-14)11-9-3-1-2-4-10(9)15(20-16(11)24-13)21-5-7-22-8-6-21/h1-8,18H2/p+1
InChIKGYGMVVZIFSPAPE-UHFFFAOYSA-O
TotalMolweight391.563
Molweight391.563
MonoisotopicMass391.072096
CLogP-1.0853
CLogS-5.598
H Acceptors5
H Donors2
TotalSurfaceArea259.53
Relative PSA0.39807
PolarSurfaceArea147.68
Druglikeness-3.2457
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolar activated DB
Shape Index0.48
Fragments1
Non HAtoms25
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond1
Rings Closures5
Small Rings5
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms13
Symmetricatoms2
Aromatic Nitrogens1
BasicNitrogens1
StereoCon

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