Compounds

ALA4585232

Name:
(5-{[2-(dimethylamino)ethyl]amino}-6-ethyl-3-[(3-methylphenyl)amino]pyrazinShow More⌵

Mol. Formula:
C18H26N6O

M.W.:
342.45

3 activity values

2 unique targets

Type:
Unknown

AlogP:
2.16

Polar Surface Area:
96.17

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4582572

Name:
6-ethyl-5-((cis)-4-ethyl-4-hydroxycyclohexylamino)-3-(3-methyl-4-(4-(4-methShow More⌵

Mol. Formula:
C32H50N8O2

M.W.:
578.81

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
122.88

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4577509

Name:
6-ethyl-5-((cis)-4-hydroxy-4-isopropylcyclohexylamino)-3-(3-methyl-4-(4-(4-Show More⌵

Mol. Formula:
C33H52N8O2

M.W.:
592.83

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
122.88

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4572977

Name:
3-(4-(4-(cyclopropylmethyl)piperazin-1-yl)-3-(trifluoromethyl)phenylamino)-Show More⌵

Mol. Formula:
C28H38F3N7O2

M.W.:
561.65

2 activity values

1 unique targets

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
119.64

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4530476

Name:
6-ethyl-5-((trans)-4-ethyl-4-hydroxycyclohexylamino)-3-(3-methyl-4-(4-(4-meShow More⌵

Mol. Formula:
C32H50N8O2

M.W.:
578.81

Type:
Unknown

AlogP:
3.90

Polar Surface Area:
122.88

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4518930

Name:
6-ethyl-5-((trans)-4-hydroxy-4-isopropylcyclohexylamino)-3-(3-methyl-4-(4-(Show More⌵

Mol. Formula:
C33H52N8O2

M.W.:
592.83

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
122.88

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4456322

Name:
(rac-2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[4'-(morpholin-4-yl)biphenyl-4Show More⌵

Mol. Formula:
C27H33N7O2

M.W.:
487.61

3 activity values

2 unique targets

Type:
Unknown

AlogP:
3.50

Polar Surface Area:
131.42

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4286522

Name:
NA

Mol. Formula:
C21H23FN5O2+

M.W.:
396.45

9 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.66

Polar Surface Area:
88.12

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3747108

Name:
4-(3-Cyano-9-ethyl-6,6-dimethyl-11-oxo-6,11-dihydro-5Hbenzo[b]carbazol-8-ylShow More⌵

Mol. Formula:
C27H25N5O2

M.W.:
451.53

13 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.87

Polar Surface Area:
94.78

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3747267

Name:
2-(4-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazol-Show More⌵

Mol. Formula:
C30H31N5O2

M.W.:
493.61

13 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.16

Polar Surface Area:
94.78

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3746236

Name:
2-(4-(3-Cyano-9-ethyl-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazol-Show More⌵

Mol. Formula:
C27H25N5O2

M.W.:
451.53

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
103.57

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3746678

Name:
8-(1-(3-(Dimethylamino)propyl)-1H-pyrazol-4-yl)-9-ethyl-6,6-dimethyl-11-oxoShow More⌵

Mol. Formula:
C29H31N5O

M.W.:
465.60

56 activity values

16 unique targets

Type:
Small molecule

AlogP:
5.29

Polar Surface Area:
77.71

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3746522

Name:
8-(1-(2-(Dimethylamino)ethyl)-1H-pyrazol-4-yl)-9-ethyl-6,6-dimethyl-11-oxo-Show More⌵

Mol. Formula:
C28H29N5O

M.W.:
451.57

26 activity values

8 unique targets

Type:
Small molecule

AlogP:
4.90

Polar Surface Area:
77.71

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3746452

Name:
8-((2-(Dimethylamino)ethyl)methylamino)-9-ethyl-6,6-dimethyl-11-oxo-6,11-diShow More⌵

Mol. Formula:
C26H30N4O

M.W.:
414.55

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.47

Polar Surface Area:
63.13

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3746626

Name:
8-(6-Aminopyridin-3-yl)-9-ethyl-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[bShow More⌵

Mol. Formula:
C26H22N4O

M.W.:
406.49

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.12

Polar Surface Area:
95.56

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3746297

Name:
9-Ethyl-8-(6-hydroxypyridin-3-yl)-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzoShow More⌵

Mol. Formula:
C26H21N3O2

M.W.:
407.47

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.24

Polar Surface Area:
89.77

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3747585

Name:
(E)-9-Ethyl-6,6-dimethyl-8-(3-morpholinoprop-1-en-1-yl)-11-oxo-6,11-dihydroShow More⌵

Mol. Formula:
C28H29N3O2

M.W.:
439.56

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.82

Polar Surface Area:
69.12

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA3746587

Name:
3-Cyano-9-ethyl-6,6-dimethyl-11-oxo-6,11-dihydro-5Hbenzo[b]carbazole-8-carbShow More⌵

Mol. Formula:
C22H18N2O3

M.W.:
358.40

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.17

Polar Surface Area:
93.95

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3746199

Name:
(S)-8-(1,2-Dihydroxyethyl)-9-ethyl-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzShow More⌵

Mol. Formula:
C23H22N2O3

M.W.:
374.44

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
97.11

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3746402

Name:
(R)-8-(1,2-Dihydroxyethyl)-9-ethyl-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzShow More⌵

Mol. Formula:
C23H22N2O3

M.W.:
374.44

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
97.11

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS