Compounds

Type:
Unknown

AlogP:
2.90

Polar Surface Area:
156.43

HBA:
13

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4537644

Name:
5-(2-((4,4-Bis(4-fluorophenyl)-2-methylbutan-2-yl)
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Mol. Formula:
C28H28F2N2O3

M.W.:
478.54

Type:
Unknown

AlogP:
5.14

Polar Surface Area:
85.35

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4525632

Name:
4-(3-((2-(2-Methoxyphenoxy)ethyl)amino)propyl)benz
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Mol. Formula:
C18H23NO4

M.W.:
317.39

Type:
Unknown

AlogP:
2.71

Polar Surface Area:
70.95

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4532142

Name:
(S)-4-(2-(2-Hydroxy-3-(isopropylamino)propoxy)phen
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Mol. Formula:
C29H43N3O5

M.W.:
513.68

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
108.92

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4556017

Name:
N,N'-(Ethane-1,2-diyl)bis(4-(2-((R)-2-hydroxy-3-(i
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Mol. Formula:
C34H54N4O6

M.W.:
614.83

3 activity values

Type:
Unknown

AlogP:
2.74

Polar Surface Area:
141.18

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4553747

Name:
(S)-1-((4-(2-((2-Aminoethyl)disulfanyl)ethoxy)-3-m
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Mol. Formula:
C25H38N2O5S2

M.W.:
510.72

6 activity values

Type:
Unknown

AlogP:
3.18

Polar Surface Area:
95.20

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4566666

Name:
(S)-1-((4-(3-((2-Aminoethyl)disulfanyl)propoxy)-3-
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Mol. Formula:
C26H40N2O5S2

M.W.:
524.75

7 activity values

Type:
Unknown

AlogP:
3.57

Polar Surface Area:
95.20

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4530266

Name:
(2S,2'S)-3,3'-((((Azanediylbis(methylene))bis(1H-1
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Mol. Formula:
C30H43N9O4

M.W.:
593.73

8 activity values

Type:
Unknown

AlogP:
1.61

Polar Surface Area:
156.43

HBA:
13

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4527905

Name:
3-(3-(1-(2-Allylphenoxy)-2-hydroxy-20-oxo-7,10,13,
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Mol. Formula:
C58H82N4O19S4

M.W.:
1267.57

7 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4518961

Name:
N-(3-(3-((2-Hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro
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Mol. Formula:
C25H31N3O4

M.W.:
437.54

Type:
Unknown

AlogP:
3.47

Polar Surface Area:
114.45

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4518727

Name:
(R)-4-(2-Hydroxy-3-((2-(2-methoxyphenoxy)ethyl)ami
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Mol. Formula:
C18H23NO5

M.W.:
333.38

Type:
Unknown

AlogP:
1.68

Polar Surface Area:
91.18

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4516838

Name:
N-(4-(3-((2-Hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro
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Mol. Formula:
C29H39N3O4

M.W.:
493.65

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
114.45

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4515576

Name:
(S)-4-(2-(2-Hydroxy-3-(isopropylamino)propoxy)phen
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Mol. Formula:
C28H41N3O4

M.W.:
483.65

Type:
Unknown

AlogP:
3.00

Polar Surface Area:
99.69

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4515498

Name:
(R)-4-(2-Hydroxy-3-((2-(2-methoxyphenoxy)ethyl)ami
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Mol. Formula:
C18H23NO6

M.W.:
349.38

Type:
Unknown

AlogP:
1.51

Polar Surface Area:
100.41

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4576034

Name:
(S)-2-(3-((2-Aminoethyl)disulfaneyl)propoxy)-5-(2-
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Mol. Formula:
C28H36F3N5O5S2

M.W.:
643.75

9 activity values

Type:
Unknown

AlogP:
3.72

Polar Surface Area:
146.88

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4578042

Name:
(S)-N-(2-Butyramidoethyl)-4-(2-(2-hydroxy-3-(isopr
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Mol. Formula:
C22H37N3O4

M.W.:
407.56

Type:
Unknown

AlogP:
1.78

Polar Surface Area:
99.69

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4587648

Name:
18-(2-allylphenoxy)-1-amino-3,6,9,12-tetraoxa-15-a
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Mol. Formula:
C22H38N2O6

M.W.:
426.55

7 activity values

Type:
Unknown

AlogP:
0.77

Polar Surface Area:
104.43

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4584173

Name:
N,N'-(Propane-1,3-diyl)bis(4-(2-((S)-2-hydroxy-3-(
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Mol. Formula:
C35H56N4O6

M.W.:
628.86

3 activity values

Type:
Unknown

AlogP:
3.13

Polar Surface Area:
141.18

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA4860571

Name:
(5R,6R)-6-((3,3-difluorocyclobutyl)methylamino)-5,
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Mol. Formula:
C15H19F2NO3

M.W.:
299.32

Type:
Unknown

AlogP:
2.08

Polar Surface Area:
72.72

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4860455

Name:
2-amino-3-fluoro-5-(2-hydroxy-1-(isopropylamino)et
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Mol. Formula:
C12H16FN3O

M.W.:
237.28