Compounds

Type:
Small molecule

AlogP:
3.26

Polar Surface Area:
68.23

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3038198

Name:
(S)-1-(3-cyclopropylmethyl-11,15-dimethoxy-13-oxa-
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Mol. Formula:
C27H32N2O3S

M.W.:
464.63

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
43.29

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3038197

Name:
(S)-19-(1-isothiocyanatoethyl)-15-methoxy-3-methyl
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Mol. Formula:
C23H26N2O3S

M.W.:
410.54

4 activity values

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
54.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3038196

Name:
(R)-1-(11,15-dimethoxy-3-methyl-13-oxa-3-azahexacy
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Mol. Formula:
C24H28N2O3S

M.W.:
424.57

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
43.29

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3038195

Name:
(S)-1-(11,15-dimethoxy-3-methyl-13-oxa-3-azahexacy
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Mol. Formula:
C24H28N2O3S

M.W.:
424.57

Type:
Small molecule

AlogP:
3.41

Polar Surface Area:
43.29

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3038194

Name:
(R)-1-(3-cyclopropylmethyl-11,15-dimethoxy-13-oxa-
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Mol. Formula:
C26H30N2O3S

M.W.:
450.60

4 activity values

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
54.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3038193

Name:
3-O-(tert-Butyldimethylsilyl)-6,14-endo-etheno-7al
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Mol. Formula:
C31H41NO5Si

M.W.:
535.76

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2304424

Name:
MET-TAMO and N-CPM-MET-TAMO analogue

Mol. Formula:
C46H54N4O8S2

M.W.:
855.09

7 activity values

Type:
Small molecule

AlogP:
4.47

Polar Surface Area:
157.74

HBA:
12

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA2021335

Name:
(R)-19-(1-isothiocyanatoethyl)-15-methoxy-3-methyl
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Mol. Formula:
C23H26N2O3S

M.W.:
410.54

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
54.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA2021333

Name:
(R)-1-(3-cyclopropylmethyl-11,15-dimethoxy-13-oxa-
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Mol. Formula:
C27H32N2O3S

M.W.:
464.63

Type:
Small molecule

AlogP:
4.19

Polar Surface Area:
43.29

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA2021332

Name:
(R)-3-cyclopropylmethyl-19-(1-isothiocyanatoethyl)
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Mol. Formula:
C26H30N2O3S

M.W.:
450.60

4 activity values

Type:
Small molecule

AlogP:
3.88

Polar Surface Area:
54.29

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA607068

Name:
1N-[10-hydroxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-
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Mol. Formula:
C26H25N3O6

M.W.:
475.50

9 activity values

Type:
Small molecule

AlogP:
2.49

Polar Surface Area:
122.01

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA606710

Name:
1N-[10-hydroxy-4-methyl-14-oxo-12-oxa-4-azapentacy
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Mol. Formula:
C19H22N2O4S

M.W.:
374.46

Type:
Small molecule

AlogP:
0.80

Polar Surface Area:
78.87

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA610885

Name:
1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(13R,17S
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Mol. Formula:
C30H31N3O6

M.W.:
529.59

5 activity values

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
111.01

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA611136

Name:
1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S
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Mol. Formula:
C29H29N3O6

M.W.:
515.57

5 activity values

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
122.01

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA110238

Name:
1N-[10-hydroxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-
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Mol. Formula:
C26H23N3O6

M.W.:
473.49

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
122.01

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA110666

Name:
1N-[10-methoxy-4,13-dimethyl-14-oxo-(13R,17S)-12-o
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Mol. Formula:
C28H27N3O6

M.W.:
501.54

Type:
Small molecule

AlogP:
2.96

Polar Surface Area:
111.01

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA107157

Name:
1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(13R,17S
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Mol. Formula:
C30H29N3O6

M.W.:
527.58

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
111.01

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA317035

Name:
1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S
Show More⌵

Mol. Formula:
C29H27N3O6

M.W.:
513.55

Type:
Small molecule

AlogP:
3.05

Polar Surface Area:
122.01

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA108406

Name:
1N-[4-cyclopropylmethyl-10-hydroxy-13-methyl-14-ox
Show More⌵

Mol. Formula:
C30H31N3O6

M.W.:
529.59

5 activity values