Compounds

ALA5197744

Name:
(1S,2R,3R,5S)-3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-[[[3-[2-(5-terShow More⌵

Mol. Formula:
C32H45N7O2

M.W.:
559.76

1 activity values

1 unique targets

Type:
---

AlogP:
4.43

Polar Surface Area:
128.59

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5205286

Name:
(S)-2-amino-4-((((2R,3R,4S,5S)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidiShow More⌵

Mol. Formula:
C15H20BrN5O5S

M.W.:
462.33

1 activity values

1 unique targets

Type:
---

AlogP:
-0.07

Polar Surface Area:
169.74

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5202438

Name:
(2S,3S,4R,5S)-2-(6-amino-9H-purin-9-yl)-5-(((3-(2-(5-(tert-butyl)-1H-benzo[Show More⌵

Mol. Formula:
C30H42N8O3

M.W.:
562.72

1 activity values

1 unique targets

Type:
---

AlogP:
3.32

Polar Surface Area:
151.23

HBA:
10

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5201124

Name:
(S)-2-amino-5-((((2S,3R,4S,5S)-3,4-dihydroxy-5-(6-(methylamino)-9H-purin-9-Show More⌵

Mol. Formula:
C18H28IN7O5

M.W.:
549.37

1 activity values

1 unique targets

Type:
---

AlogP:
-0.58

Polar Surface Area:
171.88

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5200535

Name:
1-[3-[[(1R,2R,3S,4S)-4-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-2,3-dihydroxyShow More⌵

Mol. Formula:
C23H31N7O3

M.W.:
453.55

1 activity values

1 unique targets

Type:
---

AlogP:
1.28

Polar Surface Area:
141.04

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5209877

Name:
1-[3-[[(1R,2R,3S,4S)-4-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)-2,3-dihydroxyShow More⌵

Mol. Formula:
C27H39N7O3

M.W.:
509.66

1 activity values

1 unique targets

Type:
---

AlogP:
2.58

Polar Surface Area:
141.04

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5208714

Name:
1-[3-[[(1R,2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dihydShow More⌵

Mol. Formula:
C23H31N7O3

M.W.:
453.55

1 activity values

1 unique targets

Type:
---

AlogP:
1.28

Polar Surface Area:
141.04

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5207181

Name:
1-[3-[[(1R,2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dihydShow More⌵

Mol. Formula:
C25H35N7O3

M.W.:
481.60

1 activity values

1 unique targets

Type:
---

AlogP:
2.06

Polar Surface Area:
141.04

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5195507

Name:
1-[3-[[(1R,2R,3R,4R)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4-triShow More⌵

Mol. Formula:
C27H39N7O4

M.W.:
525.65

1 activity values

1 unique targets

Type:
---

AlogP:
1.68

Polar Surface Area:
161.27

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA5194873

Name:
N-(2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethyl)-2-(3-(2-(4-(tert-butylShow More⌵

Mol. Formula:
C24H28N8O2

M.W.:
460.54

1 activity values

1 unique targets

Type:
---

AlogP:
2.14

Polar Surface Area:
133.61

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5194696

Name:
(S)-2-amino-4-((((2R,3R,4S,5S)-3,4-dihydroxy-5-(6-(methylamino)-9H-purin-9-Show More⌵

Mol. Formula:
C15H22N6O5S

M.W.:
398.45

1 activity values

1 unique targets

Type:
---

AlogP:
-0.98

Polar Surface Area:
168.64

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5191411

Name:
(-)-1-[3-[[(1R,2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dShow More⌵

Mol. Formula:
C27H39N7O3

M.W.:
509.66

18 activity values

2 unique targets

Type:
---

AlogP:
2.58

Polar Surface Area:
141.04

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA5188291

Name:
1-(3-((((2S,3R,4S,5S)-5-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3Show More⌵

Mol. Formula:
C28H40BrN7O4

M.W.:
618.58

3 activity values

2 unique targets

Type:
---

AlogP:
3.61

Polar Surface Area:
150.79

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5183146

Name:
1-[3-[[(1R,2R,3R,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3-dihydShow More⌵

Mol. Formula:
C23H31N7O3

M.W.:
453.55

1 activity values

1 unique targets

Type:
---

AlogP:
1.28

Polar Surface Area:
141.04

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5182206

Name:
Massoninoside B

Mol. Formula:
C25H32O10

M.W.:
492.52

1 activity values

1 unique targets

Type:
---

AlogP:
0.74

Polar Surface Area:
158.30

HBA:
10

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5181397

Name:
(1R,2S,3S,5R)-3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethylShow More⌵

Mol. Formula:
C12H16N4O3

M.W.:
264.29

1 activity values

1 unique targets

Type:
---

AlogP:
-0.87

Polar Surface Area:
116.90

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5177919

Name:
1-(1-adamantyl)-3-[3-[[(1R,2R,3S,4S)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazinShow More⌵

Mol. Formula:
C29H45N7O3

M.W.:
539.73

1 activity values

1 unique targets

Type:
---

AlogP:
2.51

Polar Surface Area:
141.04

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5176983

Name:
1-(3-((((2S,3R,4S,5S)-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydShow More⌵

Mol. Formula:
C28H41N7O4

M.W.:
539.68

2 activity values

1 unique targets

Type:
---

AlogP:
2.85

Polar Surface Area:
150.79

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5176400

Name:
1-[3-[[(1R,2R,3R,4R)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,4-triShow More⌵

Mol. Formula:
C23H31N7O4

M.W.:
469.55

1 activity values

1 unique targets

Type:
---

AlogP:
0.38

Polar Surface Area:
161.27

HBA:
9

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5174254

Name:
(S)-2-amino-4-((((2R,3R,4S,5S)-5-(4-amino-5-cyano-7H-pyrrolo[2,3-d]pyrimidiShow More⌵

Mol. Formula:
C16H20N6O5S

M.W.:
408.44

1 activity values

1 unique targets

Type:
---

AlogP:
-0.96

Polar Surface Area:
193.53

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS