Compounds

ALA5209277

Name:
(2S)-3-hydroxy-2-(2-(((Z)-((8S,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimShow More⌵

Mol. Formula:
C26H40N2O6

M.W.:
476.61

2 activity values

1 unique targets

Type:
---

AlogP:
3.02

Polar Surface Area:
128.45

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5209036

Name:
3-(benzylthio)-2-(2-((4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromenShow More⌵

Mol. Formula:
C26H27NO6S

M.W.:
481.57

2 activity values

1 unique targets

Type:
---

AlogP:
3.86

Polar Surface Area:
105.84

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5195524

Name:
((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetoxy-1-(3-hydroxyprop-1-eShow More⌵

Mol. Formula:
C34H54O5

M.W.:
542.80

2 activity values

2 unique targets

Type:
---

AlogP:
7.11

Polar Surface Area:
72.83

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5187690

Name:
(2S)-2-(2-(((Z)-((8R,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-7,8,9,11,Show More⌵

Mol. Formula:
C27H40N2O6

M.W.:
488.63

2 activity values

1 unique targets

Type:
---

AlogP:
3.48

Polar Surface Area:
125.29

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5184719

Name:
2-(2-((3-hexyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-4-(methylthio)butanoic Show More⌵

Mol. Formula:
C22H29NO6S

M.W.:
435.54

2 activity values

1 unique targets

Type:
---

AlogP:
3.62

Polar Surface Area:
105.84

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5184124

Name:
(1S,1'S,2R,2'R,3S,3'S)-1,1'-(1,4-phenylene)bis(3-phenyl-2-(pyridin-2-yl)-3-Show More⌵

Mol. Formula:
C44H40N6O2

M.W.:
684.84

3 activity values

3 unique targets

Type:
---

AlogP:
8.61

Polar Surface Area:
116.08

HBA:
8

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA5180658

Name:
6-((1R,2R,3S)-1-hydroxy-1,3-diphenyl-3-(pyridin-2-ylamino)propan-2-yl)picolShow More⌵

Mol. Formula:
C26H23N3O2

M.W.:
409.49

3 activity values

3 unique targets

Type:
---

AlogP:
4.96

Polar Surface Area:
75.11

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5179055

Name:
(1R,2S,3R)-1-(4-methoxyphenyl)-3-phenyl-2-(pyridin-2-yl)-3-(pyridin-2-ylamiShow More⌵

Mol. Formula:
C26H25N3O2

M.W.:
411.51

3 activity values

3 unique targets

Type:
---

AlogP:
5.16

Polar Surface Area:
67.27

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5172935

Name:
(S)-2-(2-(((Z)-((8S,9S,10S,13R,14S,17S)-17-hydroxy-10,13-dimethyl-7,8,9,11,Show More⌵

Mol. Formula:
C26H38N2O7

M.W.:
490.60

2 activity values

1 unique targets

Type:
---

AlogP:
3.12

Polar Surface Area:
145.52

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5171780

Name:
2-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-(benzylthioShow More⌵

Mol. Formula:
C29H27NO6S

M.W.:
517.60

2 activity values

1 unique targets

Type:
---

AlogP:
4.57

Polar Surface Area:
105.84

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA5171320

Name:
2-(2-((3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-phenylpropanShow More⌵

Mol. Formula:
C27H31NO6

M.W.:
465.55

2 activity values

1 unique targets

Type:
---

AlogP:
4.42

Polar Surface Area:
105.84

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA2074762

Name:
Chlorambucil-taurocholate

Mol. Formula:
C42H67Cl2N3O7S

M.W.:
828.98

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.84

Polar Surface Area:
145.27

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.06

DETAILS