Compounds

Type:
Unknown

AlogP:
1.64

Polar Surface Area:
132.86

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA3325869

Name:
(1S,2R,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bS)-methyl 1,2,6a,6b,9,9,12a-heptameShow More⌵

Mol. Formula:
C31H49NO6S

M.W.:
563.80

Type:
Small molecule

AlogP:
5.58

Polar Surface Area:
112.76

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3325868

Name:
(4aS,6aS,6bR,8aR,10S,12aS,12bR,14bS)-methyl 2,2,6a,6b,9,9,12a-heptamethyl-1Show More⌵

Mol. Formula:
C31H49NO6S

M.W.:
563.80

4 activity values

3 unique targets

Type:
Small molecule

AlogP:
5.73

Polar Surface Area:
112.76

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3325867

Name:
(4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-methyl 11-hydroxy-2,2,6a,6b,9,9,12Show More⌵

Mol. Formula:
C31H51NO6S

M.W.:
565.82

16 activity values

11 unique targets

Type:
Small molecule

AlogP:
5.52

Polar Surface Area:
115.92

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3325866

Name:
(4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-methyl 10-hydroxy-2,2,6a,6b,9,9,12Show More⌵

Mol. Formula:
C31H51NO6S

M.W.:
565.82

8 activity values

7 unique targets

Type:
Small molecule

AlogP:
5.52

Polar Surface Area:
115.92

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3325865

Name:
(1R,7aR,11aR,13aR,13bS)-1-Acetyl-5a,5b,8,11a-tetramethyl-8-(S)-methyl-9-(S,Show More⌵

Mol. Formula:
C30H49NO6S

M.W.:
551.79

Type:
Small molecule

AlogP:
5.42

Polar Surface Area:
112.76

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3325864

Name:
(2S,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bR)-methyl 2,4a,6a,6b,9,9,12a-heptamethShow More⌵

Mol. Formula:
C31H51NO5S

M.W.:
549.82

Type:
Small molecule

AlogP:
6.55

Polar Surface Area:
95.69

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3325728

Name:
(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-methyl 2,4a,6a,6b,9,9,12a-heptamethShow More⌵

Mol. Formula:
C31H49NO6S

M.W.:
563.80

Type:
Small molecule

AlogP:
5.73

Polar Surface Area:
112.76

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3325727

Name:
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-methyl 5a,5b,8,8,11a-pentamethyShow More⌵

Mol. Formula:
C31H51NO5S

M.W.:
549.82

Type:
Small molecule

AlogP:
6.41

Polar Surface Area:
95.69

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3325726

Name:
(1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-methyl 1,2,6a,6b,9,9,12a-heptameShow More⌵

Mol. Formula:
C31H51NO5S

M.W.:
549.82

Type:
Small molecule

AlogP:
6.41

Polar Surface Area:
95.69

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3325725

Name:
(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-methyl 2,2,6a,6b,9,9,12a-heptamethyl-1Show More⌵

Mol. Formula:
C31H51NO5S

M.W.:
549.82

Type:
Small molecule

AlogP:
6.55

Polar Surface Area:
95.69

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3325724

Name:
(1S,2R,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bS)-methyl 10-hydroxy-1,2,6a,6b,9,9,Show More⌵

Mol. Formula:
C31H48O4

M.W.:
484.72

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
6.36

Polar Surface Area:
63.60

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA3325723

Name:
(1R,3aS,5bR,9S,11aR,12R)-1-Acetyl-9-(R)-hydroxy-5a,5b,8,8,11a-pentamethyl-iShow More⌵

Mol. Formula:
C30H48O4

M.W.:
472.71

11 activity values

10 unique targets

Type:
Small molecule

AlogP:
6.19

Polar Surface Area:
63.60

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3237501

Name:
1-(2-Oxo-2H-chromene-3-carbonyl)-3-(4-aminosulfonylphenyl)thiourea

Mol. Formula:
C17H13N3O5S2

M.W.:
403.44

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
131.50

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3237500

Name:
1-(2-Oxo-2H-chromene-3-carbonyl)-3-(3-aminosulfonylphenyl)thiourea

Mol. Formula:
C17H13N3O5S2

M.W.:
403.44

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
131.50

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3237499

Name:
N-(3-Sulfamoylphenylcarbamothioyl)pivalamide

Mol. Formula:
C12H17N3O3S2

M.W.:
315.42

Type:
Small molecule

AlogP:
1.19

Polar Surface Area:
101.29

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA3237498

Name:
1-(2-Thienylcarbonyl)-3-(3-aminosulfonylphenyl)thiourea

Mol. Formula:
C12H11N3O3S3

M.W.:
341.44

Type:
Small molecule

AlogP:
1.52

Polar Surface Area:
101.29

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3237497

Name:
1-(2-Furanylcarbonyl)-3-(3-aminosulfonylphenyl)thiourea

Mol. Formula:
C12H11N3O4S2

M.W.:
325.37

Type:
Small molecule

AlogP:
1.05

Polar Surface Area:
114.43

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA3237496

Name:
1-(3,5-Dinitrobenzoyl)-3-(3-aminosulfonylphenyl)thiourea

Mol. Formula:
C14H11N5O7S2

M.W.:
425.40