Compounds

2 unique targets

Type:
Small molecule

AlogP:
-0.50

Polar Surface Area:
182.67

HBA:
13

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3780857

Name:
20-(hex-2-enyl)-10-hydroxy-7,15-dimethylazacycloicosa-3,5,7,11,13,15,17-hepShow More⌵

Mol. Formula:
C27H37NO2

M.W.:
407.60

12 activity values

9 unique targets

Type:
Small molecule

AlogP:
6.05

Polar Surface Area:
49.33

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2435143

Name:
tert-Butyl 7-(4-chlorophenyl)-2,3-dimethyl-5-oxo-2,3,7,8-tetrahydro-3,8a-epShow More⌵

Mol. Formula:
C21H24ClNO6

M.W.:
421.88

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
74.30

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA2435142

Name:
tert-Butyl 7-(4-chlorophenyl)-3-methyl-5-oxo-2-phenyl-2,3,7,8-tetrahydro-3,Show More⌵

Mol. Formula:
C26H26ClNO6

M.W.:
483.95

Type:
Small molecule

AlogP:
5.66

Polar Surface Area:
74.30

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2435083

Name:
tert-Butyl 7-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-methyl-5-oxo-2,3,7,8-teShow More⌵

Mol. Formula:
C27H28ClNO7

M.W.:
513.97

Type:
Small molecule

AlogP:
5.67

Polar Surface Area:
83.53

HBA:
7

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA2435076

Name:
7-(2-Bromophenyl)-3-methyl-2-(4-nitrophenyl)-7,8-dihydro-2H-3,8a-epidioxypyShow More⌵

Mol. Formula:
C21H16BrNO7

M.W.:
474.26

Type:
Small molecule

AlogP:
4.46

Polar Surface Area:
97.13

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA2435073

Name:
7-(4-Methoxyphenyl)-3-methyl-2-(4-nitrophenyl)-7,8-dihydro-2H-3,8a-epidioxyShow More⌵

Mol. Formula:
C22H19NO8

M.W.:
425.39

Type:
Small molecule

AlogP:
3.71

Polar Surface Area:
106.36

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2435063

Name:
3-Methyl-2-phenyl-7-(4-(trifluoromethyl)phenyl)-7,8-dihydro-2H-3,8a-epidioxShow More⌵

Mol. Formula:
C22H17F3O5

M.W.:
418.37

Type:
Small molecule

AlogP:
4.81

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA2435060

Name:
8,12-Dimethyl-3-(4-trifluoromethyl-phenyl)-4,9,10,11-tetraoxa-tricyclo[6.2.Show More⌵

Mol. Formula:
C17H15F3O5

M.W.:
356.30

Type:
Small molecule

AlogP:
3.46

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA2435055

Name:
7-(4-Bromophenyl)-2,3-dimethyl-7,8-dihydro-2H-3,8a-epidioxypyrano[4,3-b]pyrShow More⌵

Mol. Formula:
C16H15BrO5

M.W.:
367.19

Type:
Small molecule

AlogP:
3.20

Polar Surface Area:
53.99

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA2417957

Name:
(3R,5S,6S,7R)-9-(2-((dioctylamino)methyl)-3-hydroxy-4-methylphenyl)-3-((2S,Show More⌵

Mol. Formula:
C50H89NO6

M.W.:
800.26

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
11.67

Polar Surface Area:
99.46

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
28

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA2417956

Name:
(3R,5S,6S,7R)-9-(2-((didodecylamino)methyl)-3-hydroxy-4-methylphenyl)-3-((3Show More⌵

Mol. Formula:
C58H105NO6

M.W.:
912.48

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
14.79

Polar Surface Area:
99.46

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
36

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA2207534

Name:
(2R)-2-[(2R,5S,6R)-6-[(1S,2S,3S,5R)-5-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,Show More⌵

Mol. Formula:
C49H84N2O11

M.W.:
877.21

11 activity values

Type:
Small molecule

AlogP:
5.94

Polar Surface Area:
165.48

HBA:
12

HBD:
4

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA2207533

Name:
(2R)-2-[(2R,5S,6R)-6-[(1S,2S,3S,5R)-5-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,Show More⌵

Mol. Formula:
C56H89NO15

M.W.:
1016.32

11 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2207532

Name:
benzotriazol-1-yl(2R)-2-[(2R,5S,6R)-6-[(1S,2S,3S,5R)-5-[(3S,5S,7R,9S,10S,12Show More⌵

Mol. Formula:
C48H73N3O11

M.W.:
868.12

14 activity values

Type:
Small molecule

AlogP:
6.50

Polar Surface Area:
180.92

HBA:
14

HBD:
3

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA203418

Name:
1-[2-(15,17,17-trichloro-2,5,8,11,14-pentaoxa-16,18,19-triaza-1,15,17-triphShow More⌵

Mol. Formula:
C24H29Cl3N5O7P3

M.W.:
698.81

Type:
Small molecule

AlogP:
7.13

Polar Surface Area:
141.43

HBA:
12

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA199933

Name:
1-{2-[1,3-(Oxytetraethylenoxy)-3,5,5-tri(2-chloroethylamine)cyclotriphosphaShow More⌵

Mol. Formula:
C30H44Cl3N8O7P3

M.W.:
828.01

Type:
Small molecule

AlogP:
5.90

Polar Surface Area:
177.52

HBA:
15

HBD:
5

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA382267

Name:
1,3-(oxytetraethylenoxy)-1,3,5,5-tetrachlorocyclotriphosphazatriene

Mol. Formula:
C8H16Cl4N3O5P3

M.W.:
468.97

Type:
Small molecule

AlogP:
5.89

Polar Surface Area:
83.23

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA199551

Name:
1,3-(oxytetraethylenoxy)-1,3,5,5-tetra(phenyloxy-2-{2-chloroethylimino})cycShow More⌵

Mol. Formula:
C44H52Cl4N7O9P3

M.W.:
1057.67