Compounds

ALA5288331

Name:
Cruentaren B

Mol. Formula:
C33H51NO8

M.W.:
589.77

Type:
---

AlogP:
4.31

Polar Surface Area:
145.55

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5198490

Name:
2-((4-((benzylselanyl)methyl)-1H-1,2,3-triazol-1-yl)methyl)-2,3-dihydronaphShow More⌵

Mol. Formula:
C23H19N3O3Se

M.W.:
464.38

5 activity values

5 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5197523

Name:
3-(azidomethyl)-2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione

Mol. Formula:
C16H15N3O3

M.W.:
297.31

9 activity values

7 unique targets

Type:
---

AlogP:
3.29

Polar Surface Area:
92.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5196265

Name:
2,2-dimethyl-3-((4-(((3-(trifluoromethyl)phenyl)selanyl)methyl)-1H-1,2,3-trShow More⌵

Mol. Formula:
C25H20F3N3O3Se

M.W.:
546.41

9 activity values

7 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5205958

Name:
2,2-dimethyl-3-((4-((naphthalen-1-ylselanyl)methyl)-2,3-dihydro-1H-1,2,3-trShow More⌵

Mol. Formula:
C28H23N3O3Se

M.W.:
528.47

9 activity values

7 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5205768

Name:
3-(4-(((4-bromophenyl)(1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)methyl)-1Show More⌵

Mol. Formula:
C33H23BrN4O5

M.W.:
635.47

9 activity values

7 unique targets

Type:
---

AlogP:
5.54

Polar Surface Area:
111.46

HBA:
9

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5205418

Name:
3-(azidomethyl)-2,2-dimethyl-2,3-dihydronaphtho[1,2-b]furan-4,5-dione

Mol. Formula:
C15H13N3O3

M.W.:
283.29

9 activity values

7 unique targets

Type:
---

AlogP:
2.90

Polar Surface Area:
92.13

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5204840

Name:
3-(4-(((1,4-dioxo-1,4-dihydronaphthalen-2-yl)(phenyl)amino)methyl)-1H-1,2,3Show More⌵

Mol. Formula:
C33H24N4O5

M.W.:
556.58

9 activity values

7 unique targets

Type:
---

AlogP:
4.77

Polar Surface Area:
111.46

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA5204509

Name:
2-((4-(((4-fluorophenyl)selanyl)methyl)-1H-1,2,3-triazol-1-yl)methyl)-2,3-dShow More⌵

Mol. Formula:
C22H16FN3O3Se

M.W.:
468.35

5 activity values

5 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5204468

Name:
2,2-dimethyl-3-(4-(((thiophen-2-yl)selanyl)methyl)-1H-1,2,3-triazol-1-yl)-2Show More⌵

Mol. Formula:
C21H17N3O3SSe

M.W.:
470.41

5 activity values

5 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5204248

Name:
3-((4-(((4-fluorophenyl)selanyl)methyl)-1H-1,2,3-triazol-1-yl)methyl)-2,2-dShow More⌵

Mol. Formula:
C24H20FN3O3Se

M.W.:
496.40

9 activity values

7 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5203366

Name:
2,2-dimethyl-3-((4-((phenylselanyl)methyl)-1H-1,2,3-triazol-1-yl)methyl)-2,Show More⌵

Mol. Formula:
C24H21N3O3Se

M.W.:
478.41

9 activity values

7 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5202987

Name:
2-((4-(((1,4-dioxo-1,4-dihydronaphthalen-2-yl)(phenyl)amino)methyl)-1H-1,2,Show More⌵

Mol. Formula:
C32H22N4O5

M.W.:
542.55

9 activity values

7 unique targets

Type:
---

AlogP:
4.21

Polar Surface Area:
111.46

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5202620

Name:
3-(4-(((1,4-dioxo-1,4-dihydronaphthalen-2-yl)(4-iodophenyl)amino)methyl)-1HShow More⌵

Mol. Formula:
C33H23IN4O5

M.W.:
682.47

9 activity values

7 unique targets

Type:
---

AlogP:
5.38

Polar Surface Area:
111.46

HBA:
9

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA5202367

Name:
3-(4-((benzylselanyl)methyl)-1H-1,2,3-triazol-1-yl)-2,2-dimethyl-2,3-dihydrShow More⌵

Mol. Formula:
C24H21N3O3Se

M.W.:
478.41

9 activity values

7 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5201335

Name:
3-((4-(((4-chlorophenyl)selanyl)methyl)-1H-1,2,3-triazol-1-yl)methyl)-2,2-dShow More⌵

Mol. Formula:
C25H22ClN3O3Se

M.W.:
526.88

9 activity values

7 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5201285

Name:
2-((4-(((4-acetylphenyl)(1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)methyl)Show More⌵

Mol. Formula:
C34H24N4O6

M.W.:
584.59

9 activity values

7 unique targets

Type:
---

AlogP:
4.42

Polar Surface Area:
128.53

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5200936

Name:
2,2-dimethyl-3-(4-((p-tolylselanyl)methyl)-1H-1,2,3-triazol-1-yl)-2,3-dihydShow More⌵

Mol. Formula:
C24H21N3O3Se

M.W.:
478.41

9 activity values

7 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5200877

Name:
(3S,4R)-4-(4-(((4-acetylphenyl)(1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)Show More⌵

Mol. Formula:
C36H27BrN4O6

M.W.:
691.54

9 activity values

7 unique targets

Type:
---

AlogP:
5.74

Polar Surface Area:
128.53

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5200038

Name:
2,2-dimethyl-3-((4-((thiophen-2-ylselanyl)methyl)-1H-1,2,3-triazol-1-yl)metShow More⌵

Mol. Formula:
C22H19N3O3SSe

M.W.:
484.44

9 activity values

7 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS