Compounds

Type:
---

AlogP:
4.19

Polar Surface Area:
88.00

HBA:
9

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5219764

Name:
2-(4-amino-1-tetrahydropyran-4-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-7Show More⌵

Mol. Formula:
C18H18N6O2

M.W.:
350.38

Type:
---

AlogP:
2.61

Polar Surface Area:
114.87

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5219753

Name:
2-[8-[[1,2-dimethyl-5-[4-(2-pyridyl)piperazine-1-carbonyl]pyrrol-3-yl]methyShow More⌵

Mol. Formula:
C30H35N7O

M.W.:
509.66

Type:
---

AlogP:
3.42

Polar Surface Area:
71.64

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5219729

Name:

Mol. Formula:
C60H96N2O15

M.W.:
1085.43

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5219718

Name:
3-(2-amino-4-fluoro-1,3-benzoxazol-5-yl)-1-[(1-methylcyclobutyl)methyl]pyraShow More⌵

Mol. Formula:
C18H19FN8O

M.W.:
382.40

Type:
---

AlogP:
2.71

Polar Surface Area:
147.69

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5219710

Name:
3-(2-amino-1,3-benzoxazol-5-yl)-1-[(1S)-1,3-dimethylbutyl]pyrazolo[3,4-d]pyShow More⌵

Mol. Formula:
C18H22N8O

M.W.:
366.43

Type:
---

AlogP:
2.99

Polar Surface Area:
147.69

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5219663

Name:
2-[4-[5-[(3S)-4-(3-fluoro-2-pyridyl)-3-(hydroxymethyl)piperazine-1-carbonylShow More⌵

Mol. Formula:
C31H35FN6O2

M.W.:
542.66

Type:
---

AlogP:
4.11

Polar Surface Area:
95.73

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5219655

Name:
2-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidin-3-yl)-7-fluoro-1H-indol-5-oShow More⌵

Mol. Formula:
C16H15FN6O

M.W.:
326.34

Type:
---

AlogP:
2.98

Polar Surface Area:
105.64

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5219551

Name:

Mol. Formula:
C97H148N12O22

M.W.:
1834.31

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5219526

Name:
(5Z)-5-[[1-(3-pyridyl)pyrazol-4-yl]methylene]-2-thioxo-thiazolidin-4-one

Mol. Formula:
C12H8N4OS2

M.W.:
288.36

1 activity values

1 unique targets

Type:
---

AlogP:
1.76

Polar Surface Area:
59.81

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5219511

Name:

Mol. Formula:
C100H152N12O22

M.W.:
1874.38

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5219477

Name:

Mol. Formula:
C56H89NO14S2

M.W.:
1064.46

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5219367

Name:
5-[(5aS)-2-morpholino-5a,6,8,9-tetrahydro-5H-pyrimido[1,2]pyrrolo[4,5-a][1,Show More⌵

Mol. Formula:
C17H21N7O2

M.W.:
355.40

Type:
---

AlogP:
0.11

Polar Surface Area:
102.52

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5221080

Name:
5-[(5aR)-2-morpholino-5a,6,8,9-tetrahydro-5H-pyrimido[1,2]pyrrolo[4,5-a][1,Show More⌵

Mol. Formula:
C17H21N7O2

M.W.:
355.40

Type:
---

AlogP:
0.11

Polar Surface Area:
102.52

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5221072

Name:
5-(4-amino-7-ethyl-7-methyl-6H-pyrrolo[3,2-d]pyrimidin-5-yl)-1,3-benzoxazolShow More⌵

Mol. Formula:
C16H18N6O

M.W.:
310.36

Type:
---

AlogP:
2.60

Polar Surface Area:
107.09

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5221046

Name:
2-[4-[[3,5-dimethyl-6-[4-(1H-pyrazolo[4,3-c]pyridin-7-yl)piperazine-1-carboShow More⌵

Mol. Formula:
C30H33N9O

M.W.:
535.66

Type:
---

AlogP:
3.88

Polar Surface Area:
117.07

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5221036

Name:
[(3S)-4-(5-fluoro-2-pyridyl)-3-(hydroxymethyl)piperazin-1-yl]-[2,4,6-trimetShow More⌵

Mol. Formula:
C29H36FN7O2

M.W.:
533.65

Type:
---

AlogP:
3.34

Polar Surface Area:
97.72

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5220973

Name:
2-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-7-ol

Mol. Formula:
C16H16N6O

M.W.:
308.35

Type:
---

AlogP:
2.84

Polar Surface Area:
105.64

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5220948

Name:
3-(2-amino-1,3-benzoxazol-5-yl)-1-[(3-methylthietan-3-yl)methyl]pyrazolo[3,Show More⌵

Mol. Formula:
C17H18N8OS

M.W.:
382.45

Type:
---

AlogP:
2.13

Polar Surface Area:
147.69

HBA:
10

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5220920

Name:
3-(7-methoxy-1H-indol-2-yl)-1-tetrahydropyran-4-yl-pyrazolo[3,4-d]pyrimidinShow More⌵

Mol. Formula:
C19H20N6O2

M.W.:
364.41