Compounds

ALA4216939

Name:
3-(4-(4-(3-(8-cyclopropyl-6-fluoro-5-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4Show More⌵

Mol. Formula:
C34H30FN5O4

M.W.:
591.64

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.31

Polar Surface Area:
122.55

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4085292

Name:
6-tert-Butyl-2-{2-hydroxymethyl-3-[1-methyl-6-oxo-5-(pyrimidin-4-ylamino)-1Show More⌵

Mol. Formula:
C30H31N5O3

M.W.:
509.61

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.58

Polar Surface Area:
100.35

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA3401291

Name:
N-(3-(6-(4-(1H-imidazol-2-yl)phenylamino)-4-methyl-5-oxo-4,5-dihydropyrazinShow More⌵

Mol. Formula:
C30H28N6O2S

M.W.:
536.66

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.08

Polar Surface Area:
104.70

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3401290

Name:
(R)-N-(3-(6-(4-(3-(dimethylamino)pyrrolidin-1-yl)phenylamino)-4-methyl-5-oxShow More⌵

Mol. Formula:
C33H38N6O2S

M.W.:
582.77

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
82.50

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3401288

Name:
N-(3-(6-(imidazo[1,2-a]pyridin-7-ylamino)-4-methyl-5-oxo-4,5-dihydropyrazinShow More⌵

Mol. Formula:
C28H26N6O2S

M.W.:
510.62

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.34

Polar Surface Area:
93.32

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3401286

Name:
N-(3-(6-(1H-indol-5-ylamino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-methShow More⌵

Mol. Formula:
C29H27N5O2S

M.W.:
509.64

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.17

Polar Surface Area:
91.81

HBA:
6

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3401278

Name:
N-(2-methyl-3-(4-methyl-6-(4-(morpholine-4-carbonyl)phenylamino)-5-oxo-4,5-Show More⌵

Mol. Formula:
C31H31N5O5S

M.W.:
585.69

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.36

Polar Surface Area:
114.79

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3401276

Name:
5-tert-butyl-N-(2-methyl-3-(4-methyl-6-(4-(morpholine-4-carbonyl)phenylaminShow More⌵

Mol. Formula:
C32H35N7O4

M.W.:
581.68

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
131.34

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3401275

Name:
6-tert-butyl-N-(2-methyl-3-(4-methyl-6-(4-(morpholine-4-carbonyl)phenylaminShow More⌵

Mol. Formula:
C33H36N6O4

M.W.:
580.69

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
118.45

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3401273

Name:
2-tert-butyl-N-(2-methyl-3-(4-methyl-6-(4-(morpholine-4-carbonyl)phenylaminShow More⌵

Mol. Formula:
C32H35N7O4

M.W.:
581.68

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
131.34

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3401272

Name:
5-tert-butyl-N-(2-methyl-3-(4-methyl-6-(4-(morpholine-4-carbonyl)phenylaminShow More⌵

Mol. Formula:
C32H35N5O4S

M.W.:
585.73

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.58

Polar Surface Area:
105.56

HBA:
8

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3401271

Name:
N-(2-methyl-3-(4-methyl-6-(4-(morpholine-4-carbonyl)phenylamino)-5-oxo-4,5-Show More⌵

Mol. Formula:
C33H37N5O4Si

M.W.:
595.78

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3401270

Name:
4-(2-hydroxypropan-2-yl)-N-(2-methyl-3-(4-methyl-6-(4-(morpholine-4-carbonyShow More⌵

Mol. Formula:
C33H35N5O5

M.W.:
581.67

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
125.79

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3401269

Name:
N-(2-methyl-3-(4-methyl-6-(4-(morpholine-4-carbonyl)phenylamino)-5-oxo-4,5-Show More⌵

Mol. Formula:
C34H35N5O4

M.W.:
577.69

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
105.56

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3401267

Name:
N-(2-methyl-3-(4-methyl-6-(4-(morpholine-4-carbonyl)phenylamino)-5-oxo-4,5-Show More⌵

Mol. Formula:
C35H39N5O4

M.W.:
593.73

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.91

Polar Surface Area:
105.56

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3401266

Name:
4-(dimethylamino)-N-(2-methyl-3-(4-methyl-6-(4-(morpholine-4-carbonyl)phenyShow More⌵

Mol. Formula:
C32H34N6O4

M.W.:
566.66

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.29

Polar Surface Area:
108.80

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS