Compounds

ALA5205680

Name:
(S)-2-((S)-4,4-difluoro-3-(5-(methylsulfonylmethyl)-6-oxo-1,6-dihydropyridiShow More⌵

Mol. Formula:
C26H26F4N4O5S

M.W.:
582.58

1 activity values

1 unique targets

Type:
---

AlogP:
3.84

Polar Surface Area:
121.46

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5205183

Name:
2-(4,4-difluoro-3-(5-((2-hydroxyethylamino)methyl)-6-oxo-1,6-dihydropyridinShow More⌵

Mol. Formula:
C27H30F3N5O4

M.W.:
545.56

1 activity values

1 unique targets

Type:
---

AlogP:
3.24

Polar Surface Area:
119.58

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5204738

Name:
2-((S)-3-(5-(aminomethyl)-6-oxo-1,6-dihydropyridin-3-yl)-4,4-difluoropiperiShow More⌵

Mol. Formula:
C25H27F2N5O3

M.W.:
483.52

1 activity values

1 unique targets

Type:
---

AlogP:
3.47

Polar Surface Area:
113.34

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

Cortistatin 14

Name:
Cortistatin-14

Mol. Formula:
C81H113N19O19S2

M.W.:
1721.04

2 activity values

2 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5191640

Name:
2-(4,4-difluoro-3-(6-oxo-1,6-dihydropyridin-3-yl)cyclohexyl)-N-(5-(4-fluoroShow More⌵

Mol. Formula:
C25H24F3N3O3

M.W.:
471.48

1 activity values

1 unique targets

Type:
---

AlogP:
5.50

Polar Surface Area:
84.08

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5184932

Name:
3-[(2R,4aS,12aS)-2-methyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a-yShow More⌵

Mol. Formula:
C23H24N2O

M.W.:
344.46

3 activity values

2 unique targets

Type:
---

AlogP:
3.93

Polar Surface Area:
36.36

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

MRGPRX2 antagonist 17

Name:
4-((S)-1-((S)-1-(5-(2,4-difluorophenoxy)pyrazin-2-ylamino)-1-oxopropan-2-ylShow More⌵

Mol. Formula:
C23H21F4N5O3

M.W.:
491.45

1 activity values

1 unique targets

Type:
---

AlogP:
3.63

Polar Surface Area:
94.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5182351

Name:
N-(5-(4-chloro-6-fluoropyridin-3-yloxy)pyridin-2-yl)-2-((S)-4,4-difluoro-3-Show More⌵

Mol. Formula:
C23H21ClF3N5O3

M.W.:
507.90

1 activity values

1 unique targets

Type:
---

AlogP:
4.20

Polar Surface Area:
100.21

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA505263

Name:
(S)-7-sec-Butyl-6-oxo-2-(2-piperidin-1-yl-ethylamino)-6,7-dihydro-5H-5,7a,1Show More⌵

Mol. Formula:
C35H39F3N6O2

M.W.:
632.73

7 activity values

3 unique targets

Type:
Small molecule

AlogP:
7.09

Polar Surface Area:
91.29

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA503688

Name:
(S)-2-Benzylamino-7-isopropyl-6-oxo-6,7-dihydro-5H-5,7a,12-triaza-dibenzo[aShow More⌵

Mol. Formula:
C33H38N6O2

M.W.:
550.71

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.63

Polar Surface Area:
82.50

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA502480

Name:
(S)-2-(4-Benzyl-piperazin-1-yl)-7-isopropyl-6-oxo-6,7-dihydro-5H-5,7a,12-trShow More⌵

Mol. Formula:
C37H45N7O2

M.W.:
619.81

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
5.34

Polar Surface Area:
76.95

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS