Compounds

Type:
Unknown

AlogP:
0.39

Polar Surface Area:
136.68

HBA:
8

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4516721

Name:
(1S)-1-[5-({4-[(1E)-4-({1-[(2-amino-2-methylpropyl
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Mol. Formula:
C37H55N3O8

M.W.:
669.86

15 activity values

4 unique targets

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
194.60

HBA:
9

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4745086

Name:
(2S,3R,4R,6R)-2-(5-(benzo[b]thiophen-2-ylmethyl)-4
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Mol. Formula:
C22H21ClF2O5S

M.W.:
470.92

Type:
Unknown

AlogP:
3.94

Polar Surface Area:
79.15

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4743055

Name:
(2S,3R,4R,5S,6R)-2-(5-(benzo[b]thiophen-2-ylmethyl
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Mol. Formula:
C22H22ClFO5S

M.W.:
452.93

Type:
Unknown

AlogP:
3.73

Polar Surface Area:
90.15

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4741816

Name:
(2S,3R,4R,6R)-2-(4-chloro-5-((2,3-dihydrobenzo[b][
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Mol. Formula:
C21H21ClF2O7

M.W.:
458.84

Type:
Unknown

AlogP:
2.20

Polar Surface Area:
108.61

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4765201

Name:
(2S,3R,4R,6R)-2-(4-chloro-5-((2,3-dihydrobenzo[b][
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Mol. Formula:
C22H23ClF2O7

M.W.:
472.87

Type:
Unknown

AlogP:
2.50

Polar Surface Area:
97.61

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4761992

Name:
(2S,3R,4R,5S,6R)-2-(7-(4-ethylbenzyl)-2,3-dihydro-
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Mol. Formula:
C24H30O5

M.W.:
398.50

Type:
Unknown

AlogP:
1.84

Polar Surface Area:
90.15

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4761283

Name:
(2S,3R,4R,6R)-2-(4-chloro-2-hydroxy-5-(4-methoxybe
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Mol. Formula:
C20H21ClF2O6

M.W.:
430.83

17 activity values

5 unique targets

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4756382

Name:
(2S,3R,4R,5S,6R)-2-(5-((2,3-dihydrobenzo[b][1,4]di
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Mol. Formula:
C23H27FO8

M.W.:
450.46

11 activity values

Type:
Unknown

AlogP:
1.64

Polar Surface Area:
117.84

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4756083

Name:
(2S,3R,4R,6R)-2-(5-(benzo[b]thiophen-2-ylmethyl)-4
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Mol. Formula:
C21H19ClF2O5S

M.W.:
456.89

17 activity values

5 unique targets

Type:
Unknown

AlogP:
3.64

Polar Surface Area:
90.15

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4779277

Name:
(2S,3R,4R,6R)-2-(4-chloro-2-hydroxy-5-(3-methoxybe
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Mol. Formula:
C20H21ClF2O6

M.W.:
430.83

Type:
Unknown

AlogP:
2.43

Polar Surface Area:
99.38

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4753564

Name:
(2S,3R,4R,6R)-2-(5-((2,3-dihydrobenzo[b][1,4]dioxi
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Mol. Formula:
C22H24F2O8

M.W.:
454.42

Type:
Unknown

AlogP:
1.55

Polar Surface Area:
117.84

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4753488

Name:
(2S,3R,4R,5S,6R)-2-(5-((2,3-dihydrobenzo[b][1,4]di
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Mol. Formula:
C24H29FO8

M.W.:
464.49

Type:
Unknown

AlogP:
1.95

Polar Surface Area:
106.84

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4752364

Name:
(2S,3R,4R,5S,6R)-2-(5-(chroman-6-ylmethyl)-2-hydro
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Mol. Formula:
C24H29FO7

M.W.:
448.49

Type:
Unknown

AlogP:
2.20

Polar Surface Area:
108.61

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4794246

Name:
(2S,3R,4R,6R)-2-(5-((2,3-dihydrobenzofuran-5-yl)me
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Mol. Formula:
C22H24F2O7

M.W.:
438.42

Type:
Unknown

AlogP:
1.72

Polar Surface Area:
108.61

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4789658

Name:
(2S,3R,4R,5S,6R)-2-(4-chloro-5-((2,3-dihydrobenzo[
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Mol. Formula:
C22H24ClFO7

M.W.:
454.88

Type:
Unknown

AlogP:
2.29

Polar Surface Area:
108.61

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4799516

Name:
(2S,3R,4R,6R)-2-(5-(benzo[b]thiophen-2-ylmethyl)-2
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Mol. Formula:
C22H22F2O6S

M.W.:
452.48

Type:
Unknown

AlogP:
3.00

Polar Surface Area:
99.38

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4463348

Name:
(1S)-1,5-anhydro-1-{5-[(4-{(1E)-4-[(1-{[2-(dimethy
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Mol. Formula:
C38H57N3O8

M.W.:
683.89

Type:
Unknown

AlogP:
2.84

Polar Surface Area:
160.82

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4099154

Name:
1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-(4-(2-methy
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Mol. Formula:
C27H38N2O7S

M.W.:
534.68

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
140.51

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4095070

Name:
N-(2-methyl-1-(1-methylpiperidin-4-ylamino)-1-oxop
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Mol. Formula:
C34H49N3O6S

M.W.:
627.85

3 activity values