Compounds

ALA4098214

Name:
3-(4-(6-(5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazol-2-ylShow More⌵

Mol. Formula:
C29H28N4NaO4+

M.W.:
519.56

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.23

Polar Surface Area:
114.13

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4078272

Name:
(S)-8-(3-chloro-4-fluorobenzyl)-2,3-dicyclopropyl-6-hydroxy-2,3,9,10-tetrahShow More⌵

Mol. Formula:
C23H21ClFN3O4

M.W.:
457.89

21 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.07

Polar Surface Area:
82.85

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4067020

Name:
8'-(3-chloro-4-fluorobenzyl)-2'-(2-(2,5-dioxopyrrolidin-1-yl)ethyl)-6'-hydrShow More⌵

Mol. Formula:
C28H26ClFN4O6

M.W.:
568.99

21 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.23

Polar Surface Area:
120.23

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA3542226

Name:
1-((2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yloxy)-Show More⌵

Mol. Formula:
C34H34FN6O10+

M.W.:
705.68

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
-0.37

Polar Surface Area:
199.39

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3542190

Name:
9-fluoro-7-(4-(imidazo[1,2-a]pyridin-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-Show More⌵

Mol. Formula:
C23H17FN6O3

M.W.:
444.43

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.89

Polar Surface Area:
114.73

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3527491

Name:
NA

Mol. Formula:

M.W.:

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3527490

Name:
NA

Mol. Formula:

M.W.:

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3527489

Name:
NA

Mol. Formula:

M.W.:

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3527488

Name:
NA

Mol. Formula:

M.W.:

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3527046

Name:
(R)-2-(4-amino-1H-imidazol-1-yl)-2-(4-fluorophenyl)-1-(pyrrolidin-1-yl)propShow More⌵

Mol. Formula:
C16H19FN4O

M.W.:
302.35

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.99

Polar Surface Area:
64.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.94

DETAILS

ALA3526992

Name:
(1S,2S,3S,4R,5S)-5-[4-Chloro-3-[14C-phenyl labelled](4-ethoxybenzyl)phenyl]Show More⌵

Mol. Formula:
C27H32ClNO10

M.W.:
577.96

26 activity values

7 unique targets

Type:
Small molecule

AlogP:
1.36

Polar Surface Area:
108.61

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2431071

Name:
(4S,7S,10R,11S,12S)-12-[(1R)-1-hydroxyethyl]-10-methyl-17,21-dioxa-8-thia-2Show More⌵

Mol. Formula:
C25H29N3O7S

M.W.:
515.59

28 activity values

7 unique targets

Type:
Small molecule

AlogP:
1.26

Polar Surface Area:
134.27

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA2337981

Name:
N-((1-(2-(3-tert-butylureido)ethyl)-4-(hydroxymethyl)piperidin-4-yl)methyl)Show More⌵

Mol. Formula:
C21H32Cl2N4O3

M.W.:
459.42

28 activity values

20 unique targets

Type:
Small molecule

AlogP:
2.90

Polar Surface Area:
93.70

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.50

DETAILS