Compounds

Type:
Unknown

AlogP:
2.65

Polar Surface Area:
120.93

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4779736

Name:
(R)-3-(3-Aminopyrrolidine-1-carbonyl)-4,11-dihydro
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Mol. Formula:
C21H16N2O5S

M.W.:
408.44

Type:
Unknown

AlogP:
2.26

Polar Surface Area:
120.93

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4778478

Name:
(S)-3-(3-Aminopyrrolidin-1-carbonyl)-4,11-dihydrox
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Mol. Formula:
C25H25N3O5

M.W.:
447.49

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
125.86

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4777973

Name:
3-(3-aminopiperidine-1-carbonyl)-4,11-dihydroxy-2-
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Mol. Formula:
C23H21N3O5

M.W.:
419.44

Type:
Unknown

AlogP:
2.23

Polar Surface Area:
136.72

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4776692

Name:
(S)-3-(3-Aminopyrrolidin-1-carbonyl)-4,11-dihydrox
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Mol. Formula:
C23H21N3O5

M.W.:
419.44

15 activity values

8 unique targets

Type:
Unknown

AlogP:
1.85

Polar Surface Area:
125.86

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4784735

Name:
(S)-3-(3-Aminopyrrolidin-1-carbonyl)-1-benzyl-4,11
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Mol. Formula:
C29H25N3O5

M.W.:
495.54

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
125.86

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4782803

Name:
(R)-4,11-Dihydroxy-5,10-dioxo-N-(pyrrolidin-3-yl)-
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Mol. Formula:
C21H16N2O5S

M.W.:
408.44

Type:
Unknown

AlogP:
2.18

Polar Surface Area:
115.73

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4782219

Name:
4,11-Dihydroxy-5,10-dioxo-N-(piperidin-4-yl)-5,10-
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Mol. Formula:
C22H18N2O5S

M.W.:
422.46

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
115.73

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4781602

Name:
(S)-3-(3-Aminopyrrolidin-1-carbonyl)-1-ethyl-4,11-
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Mol. Formula:
C24H23N3O5

M.W.:
433.46

Type:
Unknown

AlogP:
2.33

Polar Surface Area:
125.86

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4796428

Name:
4,11-Dihydroxy-2-methyl-5,10-dioxo-N-(piperidin-4-
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Mol. Formula:
C23H21N3O5

M.W.:
419.44

Type:
Unknown

AlogP:
2.14

Polar Surface Area:
131.52

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4794061

Name:
3-(4-Aminopiperidin-1-carbonyl)-4,11-dihydroxy-2-m
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Mol. Formula:
C23H21N3O5

M.W.:
419.44

Type:
Unknown

AlogP:
2.23

Polar Surface Area:
136.72

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4793673

Name:
(S)-3-(3-Aminopyrrolidin-1-carbonyl)-4,11-dihydrox
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Mol. Formula:
C25H23N3O6

M.W.:
461.47

Type:
Unknown

AlogP:
1.90

Polar Surface Area:
142.93

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4792926

Name:
(S)-2-(3-(3-Aminopyrrolidin-1-carbonyl)-4,11-dihyd
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Mol. Formula:
C24H21N3O7

M.W.:
463.45

Type:
Unknown

AlogP:
1.39

Polar Surface Area:
163.16

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4792340

Name:
(S)-4,11-Dihydroxy-5,10-dioxo-N-(pyrrolidin-3-yl)-
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Mol. Formula:
C21H16N2O5S

M.W.:
408.44

Type:
Unknown

AlogP:
2.18

Polar Surface Area:
115.73

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4792180

Name:
3-((3R,4R)-3,4-Diaminopyrrolidin-1-carbonyl)-4,11-
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Mol. Formula:
C22H20N4O5

M.W.:
420.43

Type:
Unknown

AlogP:
0.77

Polar Surface Area:
162.74

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4788897

Name:
(R)-(3-(3-Aminopyrrolidin-1-carbonyl))-4,11-dihydr
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Mol. Formula:
C22H19N3O5

M.W.:
405.41

8 activity values

Type:
Unknown

AlogP:
1.84

Polar Surface Area:
136.72

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4788358

Name:
(S)-4,11-Dihydroxy-2-methyl-5,10-dioxo-N-(pyrrolid
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Mol. Formula:
C22H19N3O5

M.W.:
405.41

Type:
Unknown

AlogP:
1.75

Polar Surface Area:
131.52

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4787760

Name:
4,11-Dihydroxy-2-methyl-5,10-dioxo-N-(piperidin-3-
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Mol. Formula:
C23H21N3O5

M.W.:
419.44

Type:
Unknown

AlogP:
2.14

Polar Surface Area:
131.52

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4786975

Name:
(R,S)-3-(3-Aminopiperidine-1-carbonyl)-4,11-dihydr
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Mol. Formula:
C22H18N2O5S

M.W.:
422.46