Compounds

ALA4593121

Name:
(2R)-2-[[3-(3-chlorophenyl)prop-2-enoyl]amino]-N-(1,1-dioxothian-4-yl)-N-meShow More⌵

Mol. Formula:
C18H23ClN2O4S

M.W.:
398.91

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.89

Polar Surface Area:
83.55

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4583372

Name:
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl]-N-methyl-3-(4-nitrophenyl)Show More⌵

Mol. Formula:
C16H19N3O6S

M.W.:
381.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.37

Polar Surface Area:
126.69

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4580545

Name:
N-[2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-2-oxo-ethyl]-3-[4-(trifluorometShow More⌵

Mol. Formula:
C17H19F3N2O4S

M.W.:
404.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.48

Polar Surface Area:
83.55

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4580265

Name:
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[[3-(4-nitrophenyl)prop-2-enoyl]amino]Show More⌵

Mol. Formula:
C17H21N3O6S

M.W.:
395.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.76

Polar Surface Area:
126.69

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4572993

Name:
N-[2-[(1,1-dioxothian-4-yl)-methyl-amino]-2-oxo-ethyl]-2,3-dihydro-1,4-benzShow More⌵

Mol. Formula:
C17H22N2O6S

M.W.:
382.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.22

Polar Surface Area:
102.01

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4564501

Name:
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl]-3-(4-nitrophenyl)prop-2-enShow More⌵

Mol. Formula:
C15H17N3O6S

M.W.:
367.38

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.03

Polar Surface Area:
135.48

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4564131

Name:
N-[2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-2-oxo-ethyl]-3-[3-(trifluorometShow More⌵

Mol. Formula:
C17H19F3N2O4S

M.W.:
404.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.48

Polar Surface Area:
83.55

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4561430

Name:
N-[2-[(1,1-dioxothian-4-yl)-methyl-amino]-2-oxo-ethyl]-2-(4-methoxyphenyl)aShow More⌵

Mol. Formula:
C17H24N2O5S

M.W.:
368.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.39

Polar Surface Area:
92.78

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4561350

Name:
N-[2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-2-oxo-ethyl]-3-(3-fluorophenyl)Show More⌵

Mol. Formula:
C16H19FN2O4S

M.W.:
354.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.60

Polar Surface Area:
83.55

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4560458

Name:
3-[[3-(3-chlorophenyl)prop-2-enoyl]amino]-N-(1,1-dioxothiolan-3-yl)propanamShow More⌵

Mol. Formula:
C16H19ClN2O4S

M.W.:
370.86

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.16

Polar Surface Area:
92.34

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4555755

Name:
N-[2-[(1,1-dioxothian-4-yl)-methyl-amino]-2-oxo-ethyl]chromane-2-carboxamidShow More⌵

Mol. Formula:
C18H24N2O5S

M.W.:
380.47

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.53

Polar Surface Area:
92.78

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4552481

Name:
N-[2-[(1,1-dioxothian-4-yl)-methyl-amino]-2-oxo-ethyl]benzofuran-2-carboxamShow More⌵

Mol. Formula:
C17H20N2O5S

M.W.:
364.42

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.20

Polar Surface Area:
96.69

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4550696

Name:
N-[2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-2-oxo-ethyl]-3-(4-methoxyphenylShow More⌵

Mol. Formula:
C17H22N2O5S

M.W.:
366.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.47

Polar Surface Area:
92.78

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4548956

Name:
N-[2-[(1,1-dioxothian-4-yl)-methyl-amino]-2-oxo-ethyl]-2-phenyl-pyrazole-3-Show More⌵

Mol. Formula:
C18H22N4O4S

M.W.:
390.46

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.64

Polar Surface Area:
101.37

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4547056

Name:
3-[[3-(3-chlorophenyl)prop-2-enoyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methyShow More⌵

Mol. Formula:
C17H21ClN2O4S

M.W.:
384.89

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.50

Polar Surface Area:
83.55

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4546705

Name:
N-[2-[(1,1-dioxothian-4-yl)-methyl-amino]-2-oxo-ethyl]-3-(4-nitrophenyl)proShow More⌵

Mol. Formula:
C17H21N3O6S

M.W.:
395.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.76

Polar Surface Area:
126.69

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4543130

Name:
3-(4-chlorophenyl)-N-[2-[(1,1-dioxothiolan-3-yl)-methyl-amino]-2-oxo-ethyl]Show More⌵

Mol. Formula:
C16H19ClN2O4S

M.W.:
370.86

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.11

Polar Surface Area:
83.55

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4536846

Name:
N-[2-[(1,1-dioxothian-4-yl)-methyl-amino]-2-oxo-ethyl]quinoline-2-carboxamiShow More⌵

Mol. Formula:
C18H21N3O4S

M.W.:
375.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.00

Polar Surface Area:
96.44

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA4529329

Name:
N-(1,1-dioxothian-4-yl)-2-[(3-methoxyphenyl)methylcarbamoylamino]-N-methyl-Show More⌵

Mol. Formula:
C17H25N3O5S

M.W.:
383.47

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.53

Polar Surface Area:
104.81

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4528989

Name:
(2R)-2-[[3-(3-chlorophenyl)prop-2-enoyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-Show More⌵

Mol. Formula:
C17H21ClN2O4S

M.W.:
384.89

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.50

Polar Surface Area:
83.55

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS