Compounds

ALA5269474

Name:
(R)-1-(3-cyanophenyl)-N-((1-cyanopyrrolidin-3-yl)methyl)-1H-1,2,4-triazole-Show More⌵

Mol. Formula:
C16H15N7O

M.W.:
321.34

Type:
---

AlogP:
0.67

Polar Surface Area:
110.63

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4793428

Name:
(R/S)-N-[1-benzyl-2-[[5-(tert-butylsulfamoyl)-1-naphthyl]methylamino]-2-oxoShow More⌵

Mol. Formula:
C31H33N3O4S

M.W.:
543.69

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.92

Polar Surface Area:
95.58

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4791650

Name:
(S)-1-cyano-N-(4-(3-cyanophenyl)thiazol-2-yl)-N-methylpyrrolidine-2-carboxaShow More⌵

Mol. Formula:
C17H15N5OS

M.W.:
337.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.59

Polar Surface Area:
84.02

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4790811

Name:
(R/S)-N-[1-benzyl-2-[[5-[tert-butyl(methyl)sulfamoyl]-1-naphthyl]amino]-2-oShow More⌵

Mol. Formula:
C31H33N3O4S

M.W.:
543.69

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.24

Polar Surface Area:
95.58

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4788134

Name:
(R/S)-N-[1-benzyl-2-[[5-(ethylsulfamoyl)-1-naphthyl]amino]-2-oxoethyl]benzaShow More⌵

Mol. Formula:
C28H27N3O4S

M.W.:
501.61

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.12

Polar Surface Area:
104.37

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4786750

Name:
N-[(1S)-2-[[5-(tert-butylsulfamoyl)-1-naphthyl]amino]-2-oxo-1-phenylethyl]bShow More⌵

Mol. Formula:
C29H29N3O4S

M.W.:
515.64

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.03

Polar Surface Area:
104.37

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4784815

Name:
N-[(1S)-1-[[5-(tert-butylsulfamoyl)-1-naphthyl]carbamoyl]-2-methylpropyl]beShow More⌵

Mol. Formula:
C26H31N3O4S

M.W.:
481.62

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.31

Polar Surface Area:
104.37

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4784059

Name:
5-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-N-tert-butylnaphthalene-1-carShow More⌵

Mol. Formula:
C31H31N3O3

M.W.:
493.61

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.35

Polar Surface Area:
87.30

HBA:
3

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4758731

Name:
(R/S)-N-[1-benzyl-2-[[5-(tert-butylsulfamoylmethyl)-1-naphthyl]amino]-2-oxoShow More⌵

Mol. Formula:
C31H33N3O4S

M.W.:
543.69

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.04

Polar Surface Area:
104.37

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4756029

Name:
(R/S)-N-[1-benzyl-2-[[5-(tert-butylsulfamoyl)-1-naphthyl]amino]-2-oxoethyl]Show More⌵

Mol. Formula:
C30H31N3O4S

M.W.:
529.66

4 activity values

4 unique targets

Type:
Unknown

AlogP:
4.90

Polar Surface Area:
104.37

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4754174

Name:
N-[(1S)-2-[[5-(tert-butylsulfamoyl)-1-naphthyl]amino]-1-methyl-2-oxoethyl]bShow More⌵

Mol. Formula:
C24H27N3O4S

M.W.:
453.56

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.67

Polar Surface Area:
104.37

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4752106

Name:
benzyl N-[(1S)-1-benzyl-2-[[5-(tert-butylsulfamoyl)-1-naphthyl]amino]-2-oxoShow More⌵

Mol. Formula:
C31H33N3O5S

M.W.:
559.69

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.39

Polar Surface Area:
113.60

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4747607

Name:
(R/S)-N-[1-benzyl-2-[[5-(isopropylsulfamoyl)-1-naphthyl]amino]-2-oxoethyl]bShow More⌵

Mol. Formula:
C29H29N3O4S

M.W.:
515.64

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.51

Polar Surface Area:
104.37

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4745470

Name:
(R/S)-N-[1-benzyl-2-[[5-(tert-butylsulfamoyl)-1-naphthyl]amino]-2-oxoethyl]Show More⌵

Mol. Formula:
C31H33N3O4S

M.W.:
543.69

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.24

Polar Surface Area:
95.58

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4743014

Name:
N-[2-[[5-(tert-butylsulfamoyl)-1-naphthyl]amino]-2-oxo-ethyl]benzamide

Mol. Formula:
C23H25N3O4S

M.W.:
439.54

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.29

Polar Surface Area:
104.37

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4594138

Name:
(R)-3-(8-morpholino-2,2-dioxido-1,4-dihydro-3H-benzo[c][1,2,6]thiadiazin-3-Show More⌵

Mol. Formula:
C16H21N5O3S

M.W.:
363.44

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.55

Polar Surface Area:
88.91

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4593813

Name:
2-(1-cyanopyrrolidin-3-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

Mol. Formula:
C15H15N5OS

M.W.:
313.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.34

Polar Surface Area:
81.91

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4593525

Name:
(S)-3-(2-(3-(3-cyanophenyl)azetidin-1-yl)-2-oxoethyl)pyrrolidine-1-carbonitShow More⌵

Mol. Formula:
C17H18N4O

M.W.:
294.36

1 activity values

1 unique targets

Type:
Unknown

AlogP:
1.68

Polar Surface Area:
71.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4593287

Name:
1-Cyano-3-fluoro-N-(5-phenylthiazol-2-yl)piperidine-3-carboxamide

Mol. Formula:
C16H15FN4OS

M.W.:
330.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.03

Polar Surface Area:
69.02

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4593035

Name:
trans-4-(5-Phenylthiazol-2-yl)hexahydropyrrolo[3,4-b][1,4]oxazine-6(2H)-carShow More⌵

Mol. Formula:
C16H16N4OS

M.W.:
312.40

1 activity values

1 unique targets

Type:
Unknown

AlogP:
2.18

Polar Surface Area:
52.39

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS