Compounds

ALA5279244

Name:
((R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecShow More⌵

Mol. Formula:
C26H41NO5

M.W.:
447.62

Type:
---

AlogP:
3.80

Polar Surface Area:
103.70

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5276478

Name:
((R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-7-((4-fluorobenzoyl)oxy)-3-hydroxyShow More⌵

Mol. Formula:
C33H46FNO6

M.W.:
571.73

Type:
---

AlogP:
5.60

Polar Surface Area:
112.93

HBA:
5

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5287944

Name:
((R)-4-((3R,5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-(nicotiShow More⌵

Mol. Formula:
C32H46N2O6

M.W.:
554.73

Type:
---

AlogP:
4.85

Polar Surface Area:
125.82

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5287717

Name:
((R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-(nicotiShow More⌵

Mol. Formula:
C32H46N2O6

M.W.:
554.73

Type:
---

AlogP:
4.85

Polar Surface Area:
125.82

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5272039

Name:
((R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-(nicotiShow More⌵

Mol. Formula:
C32H46N2O6

M.W.:
554.73

Type:
---

AlogP:
4.85

Polar Surface Area:
125.82

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3959109

Name:

Mol. Formula:
C38H57N5O15S3

M.W.:
920.10

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.42

Polar Surface Area:
264.63

HBA:
14

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3956446

Name:

Mol. Formula:
C38H54N4O12S2

M.W.:
823.00

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.59

Polar Surface Area:
221.26

HBA:
12

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3945133

Name:
1-((2R,3R,4S,5R,6R)-4-Benzyloxy-3,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyShow More⌵

Mol. Formula:
C38H51N3O9S

M.W.:
725.91

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
177.89

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA3918908

Name:

Mol. Formula:
C40H58N4O12S2

M.W.:
851.05

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
221.26

HBA:
12

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3907170

Name:
1-((2R,3R,4S,5R,6R)-4-Benzyloxy-6-benzyloxymethyl-3,5-dihydroxy-tetrahydro-Show More⌵

Mol. Formula:
C45H57N3O9S

M.W.:
816.03

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.99

Polar Surface Area:
166.89

HBA:
10

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA3897389

Name:
1-((2R,3R,4S,5R,6R)-4-Benzyloxy-3,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyShow More⌵

Mol. Formula:
C40H55N3O9S

M.W.:
753.96

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
177.89

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3658917

Name:
US9040518, 72

Mol. Formula:
C25H32N2O6S

M.W.:
488.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
121.80

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3658916

Name:
US9040518, 71

Mol. Formula:
C25H35NO3S

M.W.:
429.63

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
5.62

Polar Surface Area:
55.40

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA3639577

Name:
US9040518, 70

Mol. Formula:
C24H31NO4S

M.W.:
429.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
72.47

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3658915

Name:
US9040518, 69

Mol. Formula:
C28H36N2O8S

M.W.:
560.67

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
137.10

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3658914

Name:
US9040518, 68

Mol. Formula:
C29H41N3O6S

M.W.:
559.73

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
136.04

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3658913

Name:
US9040518, 67

Mol. Formula:
C26H37N3O4S

M.W.:
487.67

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.73

Polar Surface Area:
98.74

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3658912

Name:
US9040518, 66

Mol. Formula:
C25H36NO6PS

M.W.:
509.61

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.96

Polar Surface Area:
112.93

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3658911

Name:
US9040518, 65

Mol. Formula:
C27H38N2O5S

M.W.:
502.68

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
104.73

HBA:
6

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3658910

Name:
US9040518, 64

Mol. Formula:
C30H42N2O7S

M.W.:
574.74

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.69

Polar Surface Area:
142.03

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.24

DETAILS