Compounds

Type:
Unknown

AlogP:
3.93

Polar Surface Area:
73.47

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4520315

Name:
2-((1R,2R,6S,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0(
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Mol. Formula:
C23H27N3O5

M.W.:
425.49

Type:
Unknown

AlogP:
0.95

Polar Surface Area:
107.97

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4570230

Name:
N-Cyclopentyl-N'-[2-((1S,9S,10S)-10-hydroxy-12-oxa
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Mol. Formula:
C20H27N3O4

M.W.:
373.45

Type:
Unknown

AlogP:
1.02

Polar Surface Area:
99.69

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4530010

Name:
(R)-1-(5-ethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[b]
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Mol. Formula:
C26H33N5O3S

M.W.:
495.65

Type:
Unknown

AlogP:
4.06

Polar Surface Area:
93.78

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4526530

Name:
(R)-3-(5-ethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[b]
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Mol. Formula:
C29H38N4O3S

M.W.:
522.72

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
81.75

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4547673

Name:
2-(exo-3,5-Dioxo-4-aza-tricyclo[5.2.1.0(2,6)]dec-4
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Mol. Formula:
C23H27N3O5

M.W.:
425.49

Type:
Unknown

AlogP:
0.95

Polar Surface Area:
107.97

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4579041

Name:
2-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0(
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Mol. Formula:
C24H30N4O4

M.W.:
438.53

Type:
Unknown

AlogP:
1.50

Polar Surface Area:
98.82

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4585544

Name:
N-((1R,9R,10S)-10-Hydroxy-12-oxa-8-aza-tricyclo[7.
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Mol. Formula:
C25H29N3O4S

M.W.:
467.59

Type:
Unknown

AlogP:
3.00

Polar Surface Area:
90.90

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4466871

Name:
(R)-1-((5-ethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[b
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Mol. Formula:
C27H35N5O3S

M.W.:
509.68

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
93.78

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4464825

Name:
N1-cyclopentyl-N2-(2-((2R,3R,6R)-3-hydroxy-2,3,4,6
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Mol. Formula:
C20H27N3O4

M.W.:
373.45

Type:
Unknown

AlogP:
1.02

Polar Surface Area:
99.69

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4464178

Name:
rac-2-(3,5-Dioxo-4-aza-tricyclo[5.2.1.0(2,6)]dec-4
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Mol. Formula:
C21H25N3O3

M.W.:
367.45

Type:
Unknown

AlogP:
1.69

Polar Surface Area:
78.51

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4471175

Name:
N-(4-Amino-benzyl)-2-(3,5-dioxo-4-aza-tricyclo[5.2
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Mol. Formula:
C18H21N3O3

M.W.:
327.38

Type:
Unknown

AlogP:
0.92

Polar Surface Area:
92.50

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4473560

Name:
2-((1R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0(2,6)]d
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Mol. Formula:
C23H28N4O4

M.W.:
424.50

Type:
Unknown

AlogP:
1.82

Polar Surface Area:
98.82

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA3799661

Name:
1-(4-Aminobenzyl)-3-((S)-4-(methylthio)-1-((S)-2-(
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Mol. Formula:
C24H32N4O2S2

M.W.:
472.68

7 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
87.46

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3797711

Name:
1-(4-Aminobenzyl)-3-((S)-4-(methylthio)-1-((R)-2-(
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Mol. Formula:
C24H32N4O2S2

M.W.:
472.68

Type:
Small molecule

AlogP:
4.28

Polar Surface Area:
87.46

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3799315

Name:
(S)-1-(4-Aminobenzyl)-3-(4-(methylthio)-1-oxo-1-(p
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Mol. Formula:
C17H26N4O2S

M.W.:
350.49

Type:
Small molecule

AlogP:
1.81

Polar Surface Area:
87.46

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3798445

Name:
(S)-Ethyl 2-(3-(4-(Amino)benzyl)ureido)-4-methylpe
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Mol. Formula:
C16H25N3O3

M.W.:
307.39

Type:
Small molecule

AlogP:
2.05

Polar Surface Area:
93.45

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA3799402

Name:
Ethyl ((4-Aaminobenzyl)carbamoyl)-D-methioninate

Mol. Formula:
C15H23N3O3S

M.W.:
325.43