Compounds

ALA4292957

Name:
N-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)-2-(4-Show More⌵

Mol. Formula:
C15H14ClN5O3

M.W.:
347.76

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.18

Polar Surface Area:
125.89

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4285132

Name:
N-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)-5-metShow More⌵

Mol. Formula:
C13H13N5O2S

M.W.:
303.35

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.13

Polar Surface Area:
116.66

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4277831

Name:
N-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)-4-(3,Show More⌵

Mol. Formula:
C19H23N5O4

M.W.:
385.42

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
135.12

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3290631

Name:
3-methyl-1-(5-(3-(2-(piperidin-1-yl)ethoxy)phenyl)-2-(thiophen-2-yl)thieno[Show More⌵

Mol. Formula:
C28H28ClN5O3S2

M.W.:
582.15

27 activity values

23 unique targets

Type:
Small molecule

AlogP:
5.59

Polar Surface Area:
87.66

HBA:
9

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3290628

Name:
3-methyl-1-(5-phenyl-2-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4-ylamino)-1H-Show More⌵

Mol. Formula:
C21H14N4O2S2

M.W.:
418.50

33 activity values

26 unique targets

Type:
Small molecule

AlogP:
4.73

Polar Surface Area:
75.19

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA1644439

Name:
(4S,7S,10S,16S,19S,22S,25S,28S)-4-((2S,5S,8S,11S,14S)-18-amino-5,8,11-tris(Show More⌵

Mol. Formula:
C87H131N23O26

M.W.:
1915.14

1 activity values

1 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1644438

Name:
(4S,7S,10S,16S,19S,22S,25S,28S)-4-((2S,5S,8S,11S,14S)-18-amino-5,8,11-tris(Show More⌵

Mol. Formula:
C87H132N24O27

M.W.:
1946.15

1 activity values

1 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1644437

Name:
(4S,7S,10S,16S,19S,22S,25S,28S)-4-((2S,5S,8S,11S,14S)-18-amino-5,8,11-tris(Show More⌵

Mol. Formula:
C91H141N25O28S

M.W.:
2065.34

1 activity values

1 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1644436

Name:
(4S,7S,10S,16S,19S,22S,25S,28S)-7-((1-((7-acetamido-2-oxo-2H-chromen-4-yl)mShow More⌵

Mol. Formula:
C89H134N24O29

M.W.:
2004.19

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1644435

Name:
(4S,7S,10S,16S,19S,22S,25S,28S)-7-((1-((7-amino-2-oxo-2H-chromen-4-yl)methyShow More⌵

Mol. Formula:
C87H132N24O28

M.W.:
1962.15

1 activity values

1 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1644434

Name:
(4S,7S,10S,16S,19S,22S,25S,28S)-4-((2S,5S,8S,11S,14S)-18-amino-5,8,11-tris(Show More⌵

Mol. Formula:
C86H129N23O29

M.W.:
1949.11

1 activity values

1 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1644433

Name:
(4S,7S,10S,16S,19S,22S,25S,28S)-4-((2S,5S,8S,11S,14S)-18-amino-5,8,11-tris(Show More⌵

Mol. Formula:
C91H134N24O28

M.W.:
2012.21

1 activity values

1 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA1644432

Name:
(4S,7S,10S,16S,19S,22S,25S,28S)-4-((2S,5S,8S,11S,14S)-18-amino-5,8,11-tris(Show More⌵

Mol. Formula:
C93H133N23O26

M.W.:
1989.22

13 activity values

1 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA604087

Name:
3,4-Dimethoxy-N-[3-(1,2,3,4-tetrahydro-isoquinolin-7-ylcarbamoyl)-benzyl]-bShow More⌵

Mol. Formula:
C26H27N3O4

M.W.:
445.52

90 activity values

80 unique targets

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
88.69

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA538337

Name:
(4-(((S)-3-((dimethylamino)methyl)pyrrolidin-1-yl)methyl)-3-(trifluoromethyShow More⌵

Mol. Formula:
C31H36ClF3N8O

M.W.:
629.13

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.49

Polar Surface Area:
102.33

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA516913

Name:
2-(5-((dimethylamino)methyl)-2-methoxyphenyl)-4-(4-methyl-1H-indol-5-ylaminShow More⌵

Mol. Formula:
C27H25N5OS

M.W.:
467.60

4 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.44

Polar Surface Area:
76.97

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA480839

Name:
2-(2-methoxyphenyl)-4-(4-methyl-1H-indol-5-ylamino)thieno[2,3-b]pyridine-5-Show More⌵

Mol. Formula:
C24H18N4OS

M.W.:
410.50

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
6.38

Polar Surface Area:
73.73

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA493671

Name:
N-Cyclopropyl-4-methyl-3-(1-((S)-2,2,2-trifluoro-1-methylethoxy)-6-phthalazShow More⌵

Mol. Formula:
C22H20F3N3O2

M.W.:
415.42

19 activity values

12 unique targets

Type:
Small molecule

AlogP:
4.83

Polar Surface Area:
64.11

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS