Compounds

Type:
---

AlogP:
6.15

Polar Surface Area:
71.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5198799

Name:
2-(1-(4-bromophenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl)-5-(trifluorShow More⌵

Mol. Formula:
C21H13BrF3N3O2

M.W.:
476.25

Type:
---

AlogP:
5.79

Polar Surface Area:
71.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5198630

Name:
Colletotricandin A

Mol. Formula:
C25H36O9

M.W.:
480.55

1 activity values

Type:
---

AlogP:
1.84

Polar Surface Area:
156.91

HBA:
9

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5196356

Name:
2-(5-(2-hydroxyphenyl)-1-(p-tolyl)-1H-1,2,4-triazol-3-yl)-5-(trifluoromethyShow More⌵

Mol. Formula:
C22H16F3N3O2

M.W.:
411.38

Type:
---

AlogP:
5.34

Polar Surface Area:
71.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5193453

Name:
2-(1-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl)-5-(triShow More⌵

Mol. Formula:
C23H18F3N3O2

M.W.:
425.41

Type:
---

AlogP:
5.65

Polar Surface Area:
71.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5189198

Name:
2-(1-(3,5-difluorophenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl)-5-(triShow More⌵

Mol. Formula:
C21H12F5N3O2

M.W.:
433.34

Type:
---

AlogP:
5.31

Polar Surface Area:
71.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5182915

Name:
2-(5-(2-hydroxyphenyl)-1-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl)-5-(trifluShow More⌵

Mol. Formula:
C22H16F3N3O3

M.W.:
427.38

Type:
---

AlogP:
5.04

Polar Surface Area:
80.40

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5181011

Name:
3-methoxy indole

Mol. Formula:
C9H9NO

M.W.:
147.18

1 activity values

Type:
---

AlogP:
2.18

Polar Surface Area:
25.02

HBA:
1

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.66

DETAILS

ALA5180515

Name:
Cladobotrin VI

Mol. Formula:
C11H14O5

M.W.:
226.23

1 activity values

Type:
---

AlogP:
0.45

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5179075

Name:
2-(5-(2-hydroxyphenyl)-1-(4-iodophenyl)-1H-1,2,4-triazol-3-yl)-5-(trifluoroShow More⌵

Mol. Formula:
C21H13F3IN3O2

M.W.:
523.25

Type:
---

AlogP:
5.64

Polar Surface Area:
71.17

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5178244

Name:
2-(1-(4-ethylphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-triazol-3-yl)-5-(trifluorShow More⌵

Mol. Formula:
C23H18F3N3O2

M.W.:
425.41

Type:
---

AlogP:
5.59

Polar Surface Area:
71.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5170679

Name:
2-(5-(2-hydroxyphenyl)-1-(3-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)Show More⌵

Mol. Formula:
C22H13F6N3O2

M.W.:
465.35

Type:
---

AlogP:
6.05

Polar Surface Area:
71.17

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5078431

Name:
Acremonamide

Mol. Formula:
C33H44N4O6

M.W.:
592.74

12 activity values

5 unique targets

Type:
Unknown

AlogP:
2.35

Polar Surface Area:
125.12

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4800410

Name:
5-((1H-indol-3-yl)methylene)-3-(3-bromo-4-hydroxybenzoyl)-4-(3-bromo-4-hydrShow More⌵

Mol. Formula:
C26H15Br2NO5

M.W.:
581.22

8 activity values

6 unique targets

Type:
Unknown

AlogP:
6.34

Polar Surface Area:
99.62

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4795639

Name:
Persicunin A; (3R,4S,5R,10S)-(9-(12-(furan-13-yl)ethyl)-3-hydroxy-4,17,20-tShow More⌵

Mol. Formula:
C22H30O5

M.W.:
374.48

Type:
Unknown

AlogP:
3.85

Polar Surface Area:
76.74

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4790385

Name:
Persicunin E; 13-(11-((3R,5R,10S)-3-hydroxy-4,4,17,20-tetramethyl-7-oxo-1,2Show More⌵

Mol. Formula:
C21H30O5

M.W.:
362.47

Type:
Unknown

AlogP:
3.32

Polar Surface Area:
72.83

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4786727

Name:
Persicunin H; (3R,5S,6S,8S,9R,10S,13R,15R)-3,6-hydroxy-15-methoxy-17,18,19,Show More⌵

Mol. Formula:
C21H34O6

M.W.:
382.50

Type:
Unknown

AlogP:
2.05

Polar Surface Area:
85.22

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4783922

Name:
Persicunin B; (3R,4S,5R,10S)-(3-hydroxy-9-(12-(15-hydroxy-16-oxo-15,16-dihyShow More⌵

Mol. Formula:
C22H30O7

M.W.:
406.48