Compounds

ALA5268752

Name:
5-chloro-2-(5-methyl-3-{[(3R)-1-methylpiperidin-3-yl]amino}-1,2,4-triazin-6Show More⌵

Mol. Formula:
C16H20ClN5O

M.W.:
333.82

Type:
---

AlogP:
2.71

Polar Surface Area:
74.17

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5268317

Name:
3-fluoro-5-methyl-2-(5-methyl-3-{[(3R)-1-methylpiperidin-3-yl]amino}-1,2,4-Show More⌵

Mol. Formula:
C17H22FN5O

M.W.:
331.40

Type:
---

AlogP:
2.51

Polar Surface Area:
74.17

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5279642

Name:
2-(5-methyl-3-{[(3R)-1-methylpiperidin-3-yl]amino}-1,2,4-triazin-6-yl)-5-(tShow More⌵

Mol. Formula:
C17H20F3N5O

M.W.:
367.38

Type:
---

AlogP:
3.08

Polar Surface Area:
74.17

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5279284

Name:
5-methoxy-2-(5-methyl-3-{[(3R)-1-methylpiperidin-3-yl]amino}-1,2,4-triazin-Show More⌵

Mol. Formula:
C17H23N5O2

M.W.:
329.40

Type:
---

AlogP:
2.07

Polar Surface Area:
83.40

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5289544

Name:
5-cyclopropyl-2-(5-methyl-3-{[(3R)-1-methylpiperidin-3-yl]amino}-1,2,4-triaShow More⌵

Mol. Formula:
C19H25N5O

M.W.:
339.44

Type:
---

AlogP:
2.94

Polar Surface Area:
74.17

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5288479

Name:
3-fluoro-5-methoxy-2-(5-methyl-3-{[(3R)-1-methylpiperidin-3-yl]amino}-1,2,4Show More⌵

Mol. Formula:
C17H22FN5O2

M.W.:
347.39

Type:
---

AlogP:
2.21

Polar Surface Area:
83.40

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5219824

Name:
N-((1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)carbamoyl)-1,5-dimethyl-1H-pyrazolShow More⌵

Mol. Formula:
C18H22N4O3S

M.W.:
374.47

1 activity values

1 unique targets

Type:
---

AlogP:
2.22

Polar Surface Area:
93.09

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5219690

Name:
N-((1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)carbamoyl)thiazole-2-sulfonamide

Mol. Formula:
C16H17N3O3S2

M.W.:
363.46

1 activity values

1 unique targets

Type:
---

AlogP:
2.63

Polar Surface Area:
88.16

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5219688

Name:
N-((1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)carbamoyl)-2-methylthiazole-5-sulfShow More⌵

Mol. Formula:
C17H19N3O3S2

M.W.:
377.49

1 activity values

1 unique targets

Type:
---

AlogP:
2.94

Polar Surface Area:
88.16

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5219535

Name:
N-((1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)carbamoyl)pyridine-2-sulfonamide

Mol. Formula:
C18H19N3O3S

M.W.:
357.44

1 activity values

1 unique targets

Type:
---

AlogP:
2.57

Polar Surface Area:
88.16

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5219385

Name:
Rac-6-((Dimethylamino)methyl)-N-((1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbShow More⌵

Mol. Formula:
C22H29N5O4S

M.W.:
459.57

1 activity values

1 unique targets

Type:
---

AlogP:
1.94

Polar Surface Area:
105.56

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5196139

Name:
2-(1,2,3,5,6,7-hexahydros-indacen-4-ylamino)-5-(pyridin-2-ylmethyl)-[1,2,4]Show More⌵

Mol. Formula:
C23H22N6S

M.W.:
414.54

10 activity values

4 unique targets

Type:
---

AlogP:
4.49

Polar Surface Area:
70.90

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5220890

Name:
N-((1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)carbamoyl)-1,2-dimethyl-1H-imidazoShow More⌵

Mol. Formula:
C18H22N4O3S

M.W.:
374.47

1 activity values

1 unique targets

Type:
---

AlogP:
2.22

Polar Surface Area:
93.09

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.86

DETAILS

ALA5220827

Name:
N-((1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)carbamoyl)-1-methyl-1H-pyrazole-5-Show More⌵

Mol. Formula:
C17H20N4O3S

M.W.:
360.44

1 activity values

1 unique targets

Type:
---

AlogP:
1.91

Polar Surface Area:
93.09

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5220818

Name:
N-((1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)carbamoyl)pyridine-3-sulfonamide

Mol. Formula:
C18H19N3O3S

M.W.:
357.44

1 activity values

1 unique targets

Type:
---

AlogP:
2.57

Polar Surface Area:
88.16

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA5220779

Name:
(S)-6-(Dimethylamino)-N-((1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl)-6Show More⌵

Mol. Formula:
C21H27N5O4S

M.W.:
445.55

1 activity values

1 unique targets

Type:
---

AlogP:
1.69

Polar Surface Area:
105.56

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5220708

Name:
N-((1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)carbamoyl)-1-methyl-1H-pyrazole-3-Show More⌵

Mol. Formula:
C17H20N4O3S

M.W.:
360.44

1 activity values

1 unique targets

Type:
---

AlogP:
1.91

Polar Surface Area:
93.09

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA5220378

Name:
N-((1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl)-1-isopropyl-1H-pyrazoleShow More⌵

Mol. Formula:
C19H24N4O3S

M.W.:
388.49

1 activity values

1 unique targets

Type:
---

AlogP:
2.95

Polar Surface Area:
93.09

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5220239

Name:
N-((1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)carbamoyl)pyrazolo[1,5-a]pyrimidinShow More⌵

Mol. Formula:
C19H19N5O3S

M.W.:
397.46

1 activity values

1 unique targets

Type:
---

AlogP:
2.22

Polar Surface Area:
105.46

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5219249

Name:
N-((1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)carbamoyl)-5-methyl-4-oxo-4,5,6,7-Show More⌵

Mol. Formula:
C20H23N5O4S

M.W.:
429.50

1 activity values

1 unique targets

Type:
---

AlogP:
1.46

Polar Surface Area:
113.40

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS