Compounds

Type:
Unknown

AlogP:
2.99

Polar Surface Area:
139.58

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4799984

Name:
N-carbamimidoyl-4-(4-morpholinoquinazolin-2-ylamino)benzenesulfonamide

Mol. Formula:
C19H21N7O3S

M.W.:
427.49

5 activity values

4 unique targets

Type:
Unknown

AlogP:
1.38

Polar Surface Area:
146.32

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4799697

Name:
4-(4-Morpholin-4-yl-quinazolin-2-ylamino)-benzoic acid ethyl ester

Mol. Formula:
C21H22N4O3

M.W.:
378.43

2 activity values

2 unique targets

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
76.58

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4799542

Name:
(E)-N-(4-(4-cyano-5-morpholino-2-(1H-1,2,4-triazol-3-yl)thiophen-3-yl)phenyShow More⌵

Mol. Formula:
C27H26N8O3S

M.W.:
542.63

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
151.55

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4798877

Name:
5-{2-Amino-3-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5Show More⌵

Mol. Formula:
C25H27N7O2

M.W.:
457.54

7 activity values

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
114.57

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4798707

Name:
(E)-N-(4-(4-cyano-5-morpholino-2-(1H-1,2,4-triazol-3-yl)thiophen-3-yl)phenyShow More⌵

Mol. Formula:
C24H21N9O2S

M.W.:
499.56

10 activity values

10 unique targets

Type:
Unknown

AlogP:
3.46

Polar Surface Area:
144.21

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4798019

Name:
(S)-4-Amino-6-((1-(6-fluoro-3-(pyridin-3-yl)imidazo[1,2-a]pyridin-2-yl)ethyShow More⌵

Mol. Formula:
C19H15FN8

M.W.:
374.38

4 activity values

4 unique targets

Type:
Unknown

AlogP:
2.95

Polar Surface Area:
117.81

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4797944

Name:
5-{2-Aminopyrazolo[1,5-a]pyrimidin-5-yl}-2-[(1S)-1-cyclopropylethyl]-7-methShow More⌵

Mol. Formula:
C20H21N5O

M.W.:
347.42

7 activity values

Type:
Unknown

AlogP:
3.04

Polar Surface Area:
76.52

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4797605

Name:
1-(3-bromophenyl)-3-(4-(4-cyano-5-morpholino-2-(1H-1,2,4-triazol-3-yl)thiopShow More⌵

Mol. Formula:
C24H20BrN7O2S

M.W.:
550.44

Type:
Unknown

AlogP:
5.31

Polar Surface Area:
118.96

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4797516

Name:
4-(4-(3-Hydroxyphenyl)-6-morpholino-1,3,5-triazin-2-yloxy)-N,N'-dimethylbenShow More⌵

Mol. Formula:
C22H23N5O4

M.W.:
421.46

3 activity values

3 unique targets

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
100.91

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4796715

Name:
(E)-N-(4-(4-cyano-5-morpholino-2-(1H-1,2,4-triazol-3-yl)thiophen-3-yl)phenyShow More⌵

Mol. Formula:
C25H22N8O4S

M.W.:
530.57

Type:
Unknown

AlogP:
3.48

Polar Surface Area:
171.78

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4796569

Name:
1-(2-chlorophenyl)-3-(4-(4-cyano-5-morpholino-2-(1H-1,2,4-triazol-3-yl)thioShow More⌵

Mol. Formula:
C24H20ClN7O2S

M.W.:
505.99

41 activity values

17 unique targets

Type:
Unknown

AlogP:
5.21

Polar Surface Area:
118.96

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4796381

Name:
(E)-2-benzylidene-N-(4-(4-cyano-5-morpholino-2-(1H-1,2,4-triazol-3-yl)thiopShow More⌵

Mol. Formula:
C25H22N8O2S

M.W.:
498.57

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
131.32

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4796202

Name:
4-((4-(2-Amino-1H-imidazol-5-yl)-6-morpholino-1,3,5-triazin-2-yl)oxy)-N,N'-Show More⌵

Mol. Formula:
C19H22N8O3

M.W.:
410.44

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.17

Polar Surface Area:
135.38

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4795580

Name:
1-(4-(4-cyano-5-morpholino-2-(1H-1,2,4-triazol-3-yl)thiophen-3-yl)phenyl)-3Show More⌵

Mol. Formula:
C25H20F3N7O2S

M.W.:
539.54

Type:
Unknown

AlogP:
5.57

Polar Surface Area:
118.96

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4794833

Name:
N-(6-{2-[(1S)-1-Cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-Show More⌵

Mol. Formula:
C21H23N5O3S

M.W.:
425.51

7 activity values

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
96.67

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4794791

Name:
(E)-N-(4-(4-cyano-5-morpholino-2-(1H-1,2,4-triazol-3-yl)thiophen-3-yl)phenyShow More⌵

Mol. Formula:
C26H21F3N8O3S

M.W.:
582.57

Type:
Unknown

AlogP:
4.96

Polar Surface Area:
140.55

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4794749

Name:
1-(4-(4-cyano-5-morpholino-2-(1H-1,2,4-triazol-3-yl)thiophen-3-yl)phenyl)-3Show More⌵

Mol. Formula:
C25H20F3N7O3S

M.W.:
555.54

Type:
Unknown

AlogP:
5.45

Polar Surface Area:
128.19

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4794457

Name:
(E)-N-(4-(4-cyano-5-morpholino-2-(1H-1,2,4-triazol-3-yl)thiophen-3-yl)phenyShow More⌵

Mol. Formula:
C28H28N8O5S

M.W.:
588.65