Compounds

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
63.60

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4755393

Name:
Drophiobolin A; (3aR,6aR,7S,9aR,10aS)-7-hydroxy-7-((S)-6-hydroxy-6-methylheShow More⌵

Mol. Formula:
C25H38O4

M.W.:
402.58

11 activity values

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
74.60

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA2288232

Name:
(Z)-2-(Phenylmethylene)-4,6-diethoxy-3(2H)-benzofuranone

Mol. Formula:
C19H18O4

M.W.:
310.35

14 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.10

Polar Surface Area:
44.76

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA2287031

Name:
methyl 3-(6-(2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy)-1H-benzo[d][1,2,Show More⌵

Mol. Formula:
C17H12ClF4N3O3

M.W.:
417.75

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
66.24

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2287030

Name:
2-(6-(2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy)-1H-benzo[d][1,2,3]triazShow More⌵

Mol. Formula:
C16H11ClF4N4O2

M.W.:
402.74

Type:
Small molecule

AlogP:
4.08

Polar Surface Area:
83.03

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA2287029

Name:
O-(2-(6-(2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy)-1H-benzo[d][1,2,3]trShow More⌵

Mol. Formula:
C16H11ClF4N4O3

M.W.:
418.73

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
92.26

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2287028

Name:
2-(6-(2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy)-1H-benzo[d][1,2,3]triazShow More⌵

Mol. Formula:
C16H10ClF4N3O3

M.W.:
403.72

Type:
Small molecule

AlogP:
4.68

Polar Surface Area:
77.24

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA2287027

Name:
methyl 2-(6-(2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy)-1H-benzo[d][1,2,Show More⌵

Mol. Formula:
C16H10ClF4N3O3

M.W.:
403.72

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
66.24

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA2287026

Name:
6-(2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy)-1-(prop-2-ynyl)-1H-benzo[dShow More⌵

Mol. Formula:
C16H8ClF4N3O

M.W.:
369.71

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2287025

Name:
6-(2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy)-1-ethyl-1H-benzo[d][1,2,3]Show More⌵

Mol. Formula:
C15H10ClF4N3O

M.W.:
359.71

Type:
Small molecule

AlogP:
5.05

Polar Surface Area:
39.94

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA2287024

Name:
6-(2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy)-1H-benzo[d][1,2,3]triazole

Mol. Formula:
C13H6ClF4N3O

M.W.:
331.66

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
50.80

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA2287018

Name:
(S)-methyl 2-(6-(2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy)-1H-benzo[d][Show More⌵

Mol. Formula:
C17H12ClF4N3O3

M.W.:
417.75

Type:
Small molecule

AlogP:
4.77

Polar Surface Area:
66.24

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA2286235

Name:
S-5-[4-difluoromethyl-3-methyl-5-oxo-4,5-dihydro-1,2,4-triazol-1-yl]-6-fluoShow More⌵

Mol. Formula:
C13H9F3N4O3S2

M.W.:
390.37

19 activity values

Type:
Small molecule

AlogP:
3.34

Polar Surface Area:
79.01

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA2286230

Name:
1-[6-fluoro-2-(propylthio)benzothiazol-5-yl]-3-methyl-4-difluoromethyl-1H-1Show More⌵

Mol. Formula:
C14H13F3N4OS2

M.W.:
374.41

7 activity values

Type:
Small molecule

AlogP:
3.99

Polar Surface Area:
52.71

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2271232

Name:
Butyl 4-(4,6-dimethylpyrimidin-2-yloxy)phenoxy acetate

Mol. Formula:
C18H22N2O4

M.W.:
330.38

Type:
Small molecule

AlogP:
3.61

Polar Surface Area:
70.54

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA2271231

Name:
Isopropyl 4-(4,6-dimethylpyrimidin-2-yloxy)phenoxy acetate

Mol. Formula:
C17H20N2O4

M.W.:
316.36

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
70.54

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2271230

Name:
Propyl 4-(4,6-dimethylpyrimidin-2-yloxy)phenoxy acetate

Mol. Formula:
C17H20N2O4

M.W.:
316.36

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
70.54

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA2271229

Name:
Ethyl 4-(4,6-dimethylpyrimidin-2-yloxy)phenoxy acetate

Mol. Formula:
C16H18N2O4

M.W.:
302.33

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
70.54

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA2271228

Name:
Methyl 4-(4,6-dimethylpyrimidin-2-yloxy)phenoxy acetate

Mol. Formula:
C15H16N2O4

M.W.:
288.30

Type:
Small molecule

AlogP:
2.44

Polar Surface Area:
70.54

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA2271227

Name:
Butyl 4-(4,6-dimethoxypyrimidin-2-yloxy)phenoxy acetate

Mol. Formula:
C18H22N2O6

M.W.:
362.38