Type:
Small moleculeAlogP:
4.51Polar Surface Area:
3.24HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS
ALA4176952Name:
Naphthalen-1-yl piperidine-1-carbo(dithioperoxo)thioateMol. Formula:
C16H17NS3M.W.:
319.52Type:
Small moleculeAlogP:
5.35Polar Surface Area:
3.24HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA4176646Name:
Pyrimidin-2-yl 4-benzylpiperidine-1-carbo(dithioperoxo)thioateMol. Formula:
C17H19N3S3M.W.:
361.56Type:
Small moleculeAlogP:
4.46Polar Surface Area:
29.02HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.45DETAILS
ALA4176631Name:
Pyridin-2-yl 3,4-dihydroisoquinoline-2(1H)-carbo(dithioperoxo)thioateMol. Formula:
C15H14N2S3M.W.:
318.49Type:
Small moleculeAlogP:
4.17Polar Surface Area:
16.13HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.61DETAILS
ALA4175574Name:
p-Methoxyphenyl pyrrolidine-1-carbo(dithioperoxo)thioateMol. Formula:
C12H15NOS3M.W.:
285.46Type:
Small moleculeAlogP:
3.82Polar Surface Area:
12.47HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.62DETAILS- ALA4175042
Name:
p-Methoxyphenyl morpholine-4-carbo(dithioperoxo)thioateMol. Formula:
C12H15NO2S3M.W.:
301.46Type:
Small moleculeAlogP:
3.05Polar Surface Area:
21.70HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA4174678
Name:
p-Methoxyphenyl 4-benzylpiperidine-1-carbo(dithioperoxo)thioateMol. Formula:
C20H23NOS3M.W.:
389.61Type:
Small moleculeAlogP:
5.68Polar Surface Area:
12.47HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4173591
Name:
Pyrimidin-2-yl piperidine-1-carbo(dithioperoxo)thioateMol. Formula:
C10H13N3S3M.W.:
271.44Type:
Small moleculeAlogP:
2.99Polar Surface Area:
29.02HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.47DETAILS - ALA4173264
Name:
Pyrimidin-2-yl 3,4-dihydroisoquinoline-2(1H)-carbo(dithioperoxo)thioateMol. Formula:
C14H13N3S3M.W.:
319.48Type:
Small moleculeAlogP:
3.56Polar Surface Area:
29.02HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4172139
Name:
Pyridin-2-yl 4-benzylpiperidine-1-carbo(dithioperoxo)thioateMol. Formula:
C18H20N2S3M.W.:
360.57Type:
Small moleculeAlogP:
5.06Polar Surface Area:
16.13HBA:
4HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA4172119
Name:
Pyrimidin-2-yl morpholine-4-carbo(dithioperoxo)thioateMol. Formula:
C9H11N3OS3M.W.:
273.41Type:
Small moleculeAlogP:
1.83Polar Surface Area:
38.25HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.46DETAILS - ALA4169088
Name:
p-Methoxyphenyl piperidine-1-carbo(dithioperoxo)thioateMol. Formula:
C13H17NOS3M.W.:
299.49Type:
Small moleculeAlogP:
4.21Polar Surface Area:
12.47HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA4168789
Name:
Naphthalen-1-yl 4-benzylpiperidine-1-carbo(dithioperoxo)thioateMol. Formula:
C23H23NS3M.W.:
409.65Type:
Small moleculeAlogP:
6.82Polar Surface Area:
3.24HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA4168771
Name:
Naphthalen-1-yl 3,4-dihydroisoquinoline-2(1H)-carbo(dithioperoxo)thioateMol. Formula:
C20H17NS3M.W.:
367.56Type:
Small moleculeAlogP:
5.92Polar Surface Area:
3.24HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.41DETAILS - ALA4167172
Name:
Naphthalen-1-yl morpholine-4-carbo(dithioperoxo)thioateMol. Formula:
C15H15NOS3M.W.:
321.49Type:
Small moleculeAlogP:
4.20Polar Surface Area:
12.47HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA4166414
Name:
p-Tolyl 4-benzylpiperidine-1-carbo(dithioperoxo)thioateMol. Formula:
C20H23NS3M.W.:
373.61Type:
Small moleculeAlogP:
5.97Polar Surface Area:
3.24HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4165752
Name:
Pyridin-2-yl morpholine-4-carbo(dithioperoxo)thioateMol. Formula:
C10H12N2OS3M.W.:
272.42Type:
Small moleculeAlogP:
2.44Polar Surface Area:
25.36HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.61DETAILS - ALA4165671
Name:
pyridin-2-yl piperidine-1-carbo(dithioperoxo)thioateMol. Formula:
C11H14N2S3M.W.:
270.45Type:
Small moleculeAlogP:
3.59Polar Surface Area:
16.13HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS - ALA4165350
Name:
p-Tolyl 3,4-dihydroisoquinoline-2(1H)-carbo(dithioperoxo)thioateMol. Formula:
C17H17NS3M.W.:
331.53Type:
Small moleculeAlogP:
5.08Polar Surface Area:
3.24HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS - ALA4164950
Name:
p-Tolyl pyrrolidine-1-carbo(dithioperoxo)thioateMol. Formula:
C12H15NS3M.W.:
269.46Type:
Small moleculeAlogP:
4.12Polar Surface Area:
3.24HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.59DETAILS
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