Compounds

ALA4588998

Name:
5-(4-(4,5-dihydrooxazol-2-yl)phenylsulfonyl)-1-(5-methylthiophen-2-yl)pentaShow More⌵

Mol. Formula:
C19H21NO4S2

M.W.:
391.51

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
72.80

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4530638

Name:
(-)-(R)-5-(4-(4-methyl-4,5-dihydrooxazol-2-yl)phenylthio)-1-(5-methylthiophShow More⌵

Mol. Formula:
C20H23NO2S2

M.W.:
373.54

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.37

Polar Surface Area:
38.66

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4525235

Name:
(3-((4-(4,5-dihydrooxazol-2-yl)phenylthio)methyl)phenyl)(5-methylthiophen-2Show More⌵

Mol. Formula:
C22H19NO2S2

M.W.:
393.53

3 activity values

3 unique targets

Type:
Unknown

AlogP:
5.36

Polar Surface Area:
38.66

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4521854

Name:
N-(4-cyanophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropShow More⌵

Mol. Formula:
C19H14F3N5OS

M.W.:
417.42

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.73

Polar Surface Area:
82.74

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4514035

Name:
(3-((4-(4,5-dihydrooxazol-2-yl)phenoxy)methyl)phenyl)(5-methylthiophen-2-ylShow More⌵

Mol. Formula:
C22H19NO3S

M.W.:
377.47

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
47.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4475409

Name:
6-(4-(4,5-dihydrooxazol-2-yl)phenyl)-1-(5-methylthiophen-2-yl)hexan-1-one

Mol. Formula:
C20H23NO2S

M.W.:
341.48

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.82

Polar Surface Area:
38.66

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4458154

Name:
rac-5-(4-(4,5-dihydrooxazol-2-yl)phenylsulfinyl)-1-(5-methylthiophen-2-yl)pShow More⌵

Mol. Formula:
C19H21NO3S2

M.W.:
375.51

3 activity values

3 unique targets

Type:
Unknown

AlogP:
3.99

Polar Surface Area:
61.72

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4445068

Name:
(R)-5-(4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy)-1-(5-methylthiophen-2-ylShow More⌵

Mol. Formula:
C20H23NO3S

M.W.:
357.48

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.65

Polar Surface Area:
47.89

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4441207

Name:
6-(4-(4,5-dihydrooxazol-2-yl)phenyl)-1-(5-methylthiophen-2-yl)hex-5-yn-1-onShow More⌵

Mol. Formula:
C20H19NO2S

M.W.:
337.44

3 activity values

3 unique targets

Type:
Unknown

AlogP:
4.24

Polar Surface Area:
38.66

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA2409550

Name:
Momusine B

Mol. Formula:
C20H19BrN6O6S

M.W.:
551.38

14 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.22

Polar Surface Area:
184.46

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA2409549

Name:
(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(methylsulfinylmethyl)tShow More⌵

Mol. Formula:
C20H19BrN6O6S

M.W.:
551.38

14 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.22

Polar Surface Area:
184.46

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.21

DETAILS