Compounds

ALA5267172

Name:
(2S)-2,6-diamino-N-((5S,11S,14S,17S,20S,23S,26S)-11,20,23-tris((1H-indol-3-Show More⌵

Mol. Formula:
C78H106N18O9

M.W.:
1439.82

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5280637

Name:
(2S)-2-((5S,8S,11S,14S)-5-((1H-indol-3-yl)methyl)-14-amino-8,11-bis(4-aminoShow More⌵

Mol. Formula:
C78H106N18O9

M.W.:
1439.82

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5279512

Name:

Mol. Formula:
C78H106N28O9

M.W.:
1579.89

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5290555

Name:
(2S)-2-((2S,5S,11S,14S)-5-((1H-indol-3-yl)methyl)-14,18-diamino-2,11-bis(4-Show More⌵

Mol. Formula:
C78H106N18O9

M.W.:
1439.82

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5287303

Name:
(2R)-2-((2R,5R,11R,14R)-5-((1H-indol-3-yl)methyl)-14,18-diamino-2,11-bis(4-Show More⌵

Mol. Formula:
C78H106N18O9

M.W.:
1439.82

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4858846

Name:
(4-(6-(2,3-dimethylphenyl)-1H-imidazo[4,5-c]pyridin-4-ylamino)phenyl)(morphShow More⌵

Mol. Formula:
C25H25N5O2

M.W.:
427.51

6 activity values

5 unique targets

Type:
Unknown

AlogP:
4.46

Polar Surface Area:
83.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4851740

Name:
(4-(5-(2,3-dimethylphenyl)-3H-imidazo[4,5-b]pyridin-7-ylamino)phenyl)(morphShow More⌵

Mol. Formula:
C25H25N5O2

M.W.:
427.51

5 activity values

4 unique targets

Type:
Unknown

AlogP:
4.46

Polar Surface Area:
83.14

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4764142

Name:
3,7-di-m-tolyl-aaptamine

Mol. Formula:
C27H24N2O2

M.W.:
408.50

20 activity values

11 unique targets

Type:
Unknown

AlogP:
6.35

Polar Surface Area:
43.38

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4642642

Name:
N-(3-((2-((1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)amino)-5-(trifluShow More⌵

Mol. Formula:
C21H17BF3N5O3

M.W.:
455.21

16 activity values

12 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4552170

Name:
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

Mol. Formula:
C12H10N4

M.W.:
210.24

12 activity values

4 unique targets

Type:
Unknown

AlogP:
2.21

Polar Surface Area:
67.59

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4543363

Name:
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2,6-diamine

Mol. Formula:
C12H11N5

M.W.:
225.25

12 activity values

4 unique targets

Type:
Unknown

AlogP:
1.79

Polar Surface Area:
93.61

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4483566

Name:
6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2,4-diamine

Mol. Formula:
C11H10N6

M.W.:
226.24

10 activity values

2 unique targets

Type:
Unknown

AlogP:
1.18

Polar Surface Area:
106.50

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4450599

Name:
4-methoxy-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

Mol. Formula:
C12H11N5O

M.W.:
241.25

10 activity values

2 unique targets

Type:
Unknown

AlogP:
1.61

Polar Surface Area:
89.71

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4447621

Name:
N-benzyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

Mol. Formula:
C19H16N4

M.W.:
300.37

10 activity values

2 unique targets

Type:
Unknown

AlogP:
4.24

Polar Surface Area:
53.60

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4176999

Name:
Jungermannenone C

Mol. Formula:
C20H28O2

M.W.:
300.44

8 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4165722

Name:
ent-jungermannenone C

Mol. Formula:
C20H28O2

M.W.:
300.44

28 activity values

10 unique targets

Type:
Small molecule

AlogP:
4.05

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4103300

Name:
N-(3-((5-Chloro-2-(4-(4-methylbenzenesulfonicamide)phenylamino)-4-pyrimidinShow More⌵

Mol. Formula:
C26H23ClN6O3S

M.W.:
535.03

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.85

Polar Surface Area:
125.11

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4097689

Name:
N-(3-((5-Nitro-2-(4-(4-methoxylbenzenesulfonicamide)phenylamino)-4-pyrimidiShow More⌵

Mol. Formula:
C26H23N7O6S

M.W.:
561.58

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
177.48

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4096269

Name:
Rhytidone A

Mol. Formula:
C20H22O6

M.W.:
358.39

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.18

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4095349

Name:
Palmarumycin C5

Mol. Formula:
C21H16O5

M.W.:
348.35

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
61.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS