Compounds

ALA4227781

Name:
3-(5'-Amino-5'-deoxyadenosine)-4-(benzylamino)cyclobut-3-ene-1,2-dione

Mol. Formula:
C21H21N7O5

M.W.:
451.44

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.65

Polar Surface Area:
177.51

HBA:
12

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4226903

Name:
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]meShow More⌵

Mol. Formula:
C15H23N5O14P2

M.W.:
559.32

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-3.28

Polar Surface Area:
291.52

HBA:
17

HBD:
8

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4226768

Name:
3-(5'-Ammonium-5'-deoxyadenosine)-4-[(3-nitrophenyl)amino]cyclobut-3-ene-1,Show More⌵

Mol. Formula:
C20H18N8O7

M.W.:
482.41

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.61

Polar Surface Area:
220.65

HBA:
14

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4226700

Name:
(S)-3-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-4-[[[(2S,3S,4S,5S)-5-(6-aShow More⌵

Mol. Formula:
C29H29N7O8

M.W.:
603.59

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
0.53

Polar Surface Area:
224.04

HBA:
12

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4226665

Name:
3-(5'-Amino-5'-deoxyadenosine)-4-[(4-pyridin-4-ylmethyl)amino]cyclobut-3-enShow More⌵

Mol. Formula:
C20H20N8O5

M.W.:
452.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.26

Polar Surface Area:
190.40

HBA:
13

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4226016

Name:
N-[[(2S,3S,4R,5S)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-Show More⌵

Mol. Formula:
C19H20N10O4S

M.W.:
484.50

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.09

Polar Surface Area:
192.01

HBA:
14

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4225750

Name:
N-[[(2S,3S,4R,5S)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-Show More⌵

Mol. Formula:
C13H16N10O4

M.W.:
376.34

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-3.10

Polar Surface Area:
202.87

HBA:
12

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4225209

Name:
3-(5'-Ammonium-5'-deoxyadenosine)-4-[(3-hydroxyphenyl)amino]cyclobut-3-ene-Show More⌵

Mol. Formula:
C20H19N7O6

M.W.:
453.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.82

Polar Surface Area:
197.74

HBA:
13

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4224957

Name:
3-(5'-Amino-5'-deoxyadenosine)-4-[(4-methoxybenzyl)amino]cyclobut-3-ene-1,2Show More⌵

Mol. Formula:
C22H23N7O6

M.W.:
481.47

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.64

Polar Surface Area:
186.74

HBA:
13

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4224690

Name:
3-(5'-Amino-5'-deoxyadenosine)-4-[(4-fluorobenzyl)amino]cyclobut-3-ene-1,2-Show More⌵

Mol. Formula:
C21H20FN7O5

M.W.:
469.43

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.51

Polar Surface Area:
177.51

HBA:
12

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS