Compounds

Type:
Unknown

AlogP:
-0.79

Polar Surface Area:
83.70

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4777335

Name:
N-[(1R)-1-[(1-cyanocyclopropyl)carbamoyl]-2-[4-(pyridin-2-yl)piperazine-1-sShow More⌵

Mol. Formula:
C22H32N6O4S

M.W.:
476.60

6 activity values

2 unique targets

Type:
Unknown

AlogP:
0.63

Polar Surface Area:
135.50

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4757049

Name:
(2R)-2-Benzyl-N-(1-cyanocyclopropyl)-3-((4-(pyridin-2-yl)piperazin-1-yl)sulShow More⌵

Mol. Formula:
C23H27N5O3S

M.W.:
453.57

1 activity values

Type:
Unknown

AlogP:
1.56

Polar Surface Area:
106.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4755678

Name:
N-(1-cyanocyclopropyl)-3-(4-(pyridin-2-yl)piperazin-1-ylsulfonyl)propanamidShow More⌵

Mol. Formula:
C16H21N5O3S

M.W.:
363.44

1 activity values

Type:
Unknown

AlogP:
0.10

Polar Surface Area:
106.40

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA4747808

Name:
(R)-N-(1-cyanocyclopropyl)-3-(((R)-5-oxopyrrolidin-2-yl)methylsulfonyl)-2-(Show More⌵

Mol. Formula:
C20H22F4N4O4S

M.W.:
490.48

1 activity values

Type:
Unknown

AlogP:
1.25

Polar Surface Area:
128.16

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4251370

Name:
4-[[(2S)-2-Hydroxy-2-phenyl-ethyl]amino]-6-morpholino-1,3,5-triazine-2-carbShow More⌵

Mol. Formula:
C16H18N6O2

M.W.:
326.36

Type:
Small molecule

AlogP:
0.73

Polar Surface Area:
107.19

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4251253

Name:
4-(Morpholin-4-yl)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazine-2-carboniShow More⌵

Mol. Formula:
C15H13F3N6O2

M.W.:
366.30

9 activity values

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
96.19

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4250979

Name:
4-[[(2R)-2-Hydroxy-2-phenyl-ethyl]amino]-6-morpholino-1,3,5-triazine-2-carbShow More⌵

Mol. Formula:
C16H18N6O2

M.W.:
326.36

Type:
Small molecule

AlogP:
0.73

Polar Surface Area:
107.19

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4249139

Name:
4-(4-Fluoroanilino)-6-morpholino-1,3,5-triazine-2-carbonitrile

Mol. Formula:
C14H13FN6O

M.W.:
300.30

Type:
Small molecule

AlogP:
1.46

Polar Surface Area:
86.96

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4248570

Name:
4-(4-Methoxyanilino)-6-(morpholin-4-yl)-1,3,5-triazine-2-carbonitrile

Mol. Formula:
C15H16N6O2

M.W.:
312.33

Type:
Small molecule

AlogP:
1.33

Polar Surface Area:
96.19

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4248476

Name:
4-(Morpholin-4-yl)-6-(3-nitroanilino)-1,3,5-triazine-2-carbonitrile

Mol. Formula:
C14H13N7O3

M.W.:
327.30

Type:
Small molecule

AlogP:
1.23

Polar Surface Area:
130.10

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4247983

Name:
4-(3-Methoxyanilino)-6-(4-piperidylamino)-1,3,5-triazine-2-carbonitrile

Mol. Formula:
C16H19N7O

M.W.:
325.38

Type:
Small molecule

AlogP:
1.66

Polar Surface Area:
107.78

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4246329

Name:
4-(3-Fluoroanilino)-6-morpholino-1,3,5-triazine-2-carbonitrile

Mol. Formula:
C14H13FN6O

M.W.:
300.30

Type:
Small molecule

AlogP:
1.46

Polar Surface Area:
86.96

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA4245255

Name:
4-(Morpholin-4-yl)-6-(4-nitroanilino)-1,3,5-triazine-2-carbonitrile

Mol. Formula:
C14H13N7O3

M.W.:
327.30

Type:
Small molecule

AlogP:
1.23

Polar Surface Area:
130.10

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4243256

Name:
4-[(Piperidin-4-yl)amino]-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazine-2-Show More⌵

Mol. Formula:
C16H16F3N7O

M.W.:
379.35

Type:
Small molecule

AlogP:
2.55

Polar Surface Area:
107.78

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4240103

Name:
4-(Morpholin-4-yl)-6-[3-(trifluoromethoxy)anilino]-1,3,5-triazine-2-carboniShow More⌵

Mol. Formula:
C15H13F3N6O2

M.W.:
366.30

Type:
Small molecule

AlogP:
2.22

Polar Surface Area:
96.19

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4238536

Name:
4-(3-Methoxyanilino)-6-(morpholin-4-yl)-1,3,5-triazine-2-carbonitrile

Mol. Formula:
C15H16N6O2

M.W.:
312.33

Type:
Small molecule

AlogP:
1.33

Polar Surface Area:
96.19

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4237987

Name:
4-(4-Methoxyanilino)-6-(4-piperidylamino)-1,3,5-triazine-2-carbonitrile

Mol. Formula:
C16H19N7O

M.W.:
325.38