Compounds

Type:
---

AlogP:
4.51

Polar Surface Area:
97.96

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5206647

Name:
N-(3-(dimethylamino)propyl)-7-(3,3-dimethylindolin-1-yl)thiazolo[5,4-d]pyriShow More⌵

Mol. Formula:
C21H26N6OS

M.W.:
410.55

Type:
---

AlogP:
3.20

Polar Surface Area:
74.25

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5206228

Name:
5-chloro-N-[4-fluoro-2-[(3S,4R)-4-methoxytetrahydrofuran-3-yl]oxy-phenyl]-7Show More⌵

Mol. Formula:
C23H24ClFN4O4S

M.W.:
506.99

Type:
---

AlogP:
4.85

Polar Surface Area:
94.93

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5205835

Name:
7-(4-fluoro-2-isopropoxyphenylamino)-N-(2-(piperazin-1-yl)ethyl)thiazolo[5,Show More⌵

Mol. Formula:
C21H26FN7O2S

M.W.:
459.55

Type:
---

AlogP:
2.39

Polar Surface Area:
104.30

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5204789

Name:
5-(4-((1-acetylpiperidin-4-yl)methylamino)-3-amino-1H-indazol-6-yl)-1-(3-chShow More⌵

Mol. Formula:
C27H29ClN6O2

M.W.:
505.02

Type:
---

AlogP:
4.35

Polar Surface Area:
109.04

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5204310

Name:
7-[[dimethyl(oxo)-$l^6-sulfanylidene]amino]-N-[4-fluoro-2-[(3S,4R)-4-methoxShow More⌵

Mol. Formula:
C22H25FN4O4S

M.W.:
460.53

Type:
---

AlogP:
3.97

Polar Surface Area:
94.93

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5203734

Name:
4-(4-fluoro-2-isopropoxyphenylamino)-5-methyl-N-(piperidin-4-ylmethyl)-5H-pShow More⌵

Mol. Formula:
C23H29FN6O2

M.W.:
440.52

Type:
---

AlogP:
3.37

Polar Surface Area:
93.10

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5203720

Name:
7-(5-fluoroindolin-1-yl)-N-(piperidin-4-ylmethyl)thiazolo[5,4-d]pyrimidine-Show More⌵

Mol. Formula:
C20H21FN6OS

M.W.:
412.49

Type:
---

AlogP:
2.65

Polar Surface Area:
83.04

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA5199976

Name:
(3R,4S)-4-[[3-[[5-methoxy-7-[(1-oxothietan-1-ylidene)amino]quinazolin-4-yl]Show More⌵

Mol. Formula:
C21H23N5O5S

M.W.:
457.51

Type:
---

AlogP:
2.42

Polar Surface Area:
128.05

HBA:
10

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5197975

Name:
7-(4-fluoro-2-isopropoxyphenylamino)-N-(piperidin-4-ylmethyl)thiazolo[5,4-dShow More⌵

Mol. Formula:
C21H25FN6O2S

M.W.:
444.54

Type:
---

AlogP:
3.49

Polar Surface Area:
101.06

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5197932

Name:
5-(imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-N-(4-((4-methylpiperazin-1Show More⌵

Mol. Formula:
C28H26F3N7O

M.W.:
533.56

1 activity values

1 unique targets

Type:
---

AlogP:
3.85

Polar Surface Area:
78.66

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5196084

Name:
N-(3-(dimethylamino)propyl)-4-(5-fluoroindolin-1-yl)-5-methyl-5H-pyrrolo[3,Show More⌵

Mol. Formula:
C21H25FN6O

M.W.:
396.47

Type:
---

AlogP:
2.48

Polar Surface Area:
66.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5195560

Name:
3-isopropoxy-4-(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-ylamino)benzonitrile

Mol. Formula:
C17H17N5O

M.W.:
307.36

Type:
---

AlogP:
3.37

Polar Surface Area:
75.76

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5195407

Name:
7-(4-fluoro-2-isopropoxyphenylamino)-N-methylthiazolo[5,4-d]pyrimidine-2-caShow More⌵

Mol. Formula:
C16H16FN5O2S

M.W.:
361.40

Type:
---

AlogP:
3.12

Polar Surface Area:
89.03

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5187414

Name:
(R)-N-(4-fluoro-2-(tetrahydro-2H-pyran-3-yloxy)phenyl)-5-methyl-5H-pyrrolo[Show More⌵

Mol. Formula:
C18H19FN4O2

M.W.:
342.37

Type:
---

AlogP:
3.41

Polar Surface Area:
61.20

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5184155

Name:
N-(2-(cyclopentyloxy)-4-fluorophenyl)-5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4Show More⌵

Mol. Formula:
C18H19FN4O

M.W.:
326.38

Type:
---

AlogP:
4.17

Polar Surface Area:
51.97

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5183975

Name:
7-(3,3-dimethylindolin-1-yl)-N-(piperidin-4-ylmethyl)thiazolo[5,4-d]pyrimidShow More⌵

Mol. Formula:
C22H26N6OS

M.W.:
422.56

Type:
---

AlogP:
3.25

Polar Surface Area:
83.04

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5183800

Name:
(3S,4S)-4-[2-[[5-chloro-7-[(1-oxothietan-1-ylidene)amino]quinazolin-4-yl]amShow More⌵

Mol. Formula:
C21H20ClFN4O4S

M.W.:
478.93

Type:
---

AlogP:
3.81

Polar Surface Area:
105.93

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5183740

Name:
(3R,4S)-4-[2-[[7-[(tert-butyl-methyl-oxo-$l^6-sulfanylidene)amino]-5-methoxShow More⌵

Mol. Formula:
C24H29FN4O5S

M.W.:
504.58

Type:
---

AlogP:
4.19

Polar Surface Area:
115.16

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5183411

Name:
4-(5-fluoroindolin-1-yl)-5H-pyrrolo[3,2-d]pyrimidine

Mol. Formula:
C14H11FN4

M.W.:
254.27