Compounds

ALA3981145

Name:
8-{4-[(aminothio)peroxy]phenyl}-4,8-dihydro[1,3-dioxolo][7,8]isothiochromenShow More⌵

Mol. Formula:
C18H14N4O5S2

M.W.:
430.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.80

Polar Surface Area:
123.85

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3978792

Name:
1-{4-[(aminothio)peroxy]phenyl}-1,5-dihydroisothiochromeno[4,3-c]pyrazole-3Show More⌵

Mol. Formula:
C17H14N4O3S2

M.W.:
386.46

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
105.39

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3978406

Name:
ethyl 1-{4-[(aminothio)peroxy]phenyl}-1,5-dihydroisothiochromeno[4,3-c]pyraShow More⌵

Mol. Formula:
C19H17N3O4S2

M.W.:
415.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
88.60

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3961952

Name:
1-[4-(aminosulfonyl)phenyl]-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3-carboShow More⌵

Mol. Formula:
C17H15N5O3S

M.W.:
369.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.21

Polar Surface Area:
133.10

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA3957959

Name:
ethyl 1-{4-[(aminothio)peroxy]phenyl}-8-fluoro-1,4-dihydrochromeno[4,3-c]pyShow More⌵

Mol. Formula:
C19H16FN3O5S

M.W.:
417.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
97.83

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3953793

Name:
ethyl 1-[4-(aminosulfonyl)phenyl]-4,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3Show More⌵

Mol. Formula:
C19H18N4O4S

M.W.:
398.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
116.31

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3940339

Name:
1-[4-(aminosulfonyl)phenyl]-5-[(4-methylphenyl)sulfonyl]-4,5-dihydro-1H-pyrShow More⌵

Mol. Formula:
C24H21N5O5S2

M.W.:
523.60

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
158.45

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3913965

Name:
1-[4-(aminosulfonyl)phenyl]-1,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamidShow More⌵

Mol. Formula:
C17H14N4O4S

M.W.:
370.39

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.18

Polar Surface Area:
130.30

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3910686

Name:
1-{4-[(aminothio)peroxy]phenyl}-8-fluoro-1,4-dihydrochromeno[4,3-c]pyrazoleShow More⌵

Mol. Formula:
C17H13FN4O4S

M.W.:
388.38

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
114.62

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3889465

Name:
ethyl 1-[4-(aminosulfonyl)phenyl]-5-[(4-methylphenyl)sulfonyl]-4,5-dihydro-Show More⌵

Mol. Formula:
C26H24N4O6S2

M.W.:
552.63

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
141.66

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS