Compounds

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
90.49

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4537657

Name:
1-((2-Fluorophenyl)sulfonyl)piperidin-4-yl ((S)-1-
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Mol. Formula:
C33H41F4N7O8S2

M.W.:
803.86

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
196.67

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4519966

Name:
(S)-N-(4-carbamimidoylbenzyl)-1-(2-phenylacetyl)py
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Mol. Formula:
C21H24N4O2

M.W.:
364.45

Type:
Unknown

AlogP:
1.82

Polar Surface Area:
99.28

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4559504

Name:
1-(Mesitylsulfonyl)piperidin-4-yl ((S)-1-(((S)-1-(
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Mol. Formula:
C36H48F3N7O8S2

M.W.:
827.95

Type:
Unknown

AlogP:
4.15

Polar Surface Area:
196.67

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4559358

Name:
(2S)-N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1
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Mol. Formula:
C26H36ClN7O4S

M.W.:
578.14

Type:
Unknown

AlogP:
1.16

Polar Surface Area:
183.50

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4558850

Name:
1-((3-Fluorophenyl)sulfonyl)piperidin-4-yl ((S)-1-
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Mol. Formula:
C33H41F4N7O8S2

M.W.:
803.86

Type:
Unknown

AlogP:
3.36

Polar Surface Area:
196.67

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4530678

Name:
1-Acetyl-4-phenethylpiperidin-4-yl ((S)-1-(((S)-1-
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Mol. Formula:
C37H48F3N7O7S

M.W.:
791.89

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
179.60

HBA:
8

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4529907

Name:
4-((3aS,4R,8aS,8bR)-2-(2,4-difluorobenzyl)-1,3-dio
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Mol. Formula:
C23H23ClF2N4O2

M.W.:
460.91

Type:
Unknown

AlogP:
2.57

Polar Surface Area:
90.49

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4529851

Name:
4-((3aS,4R,8aS,8bR)-2-(4-chlorobenzyl)-1,3-dioxode
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Mol. Formula:
C23H24Cl2N4O2

M.W.:
459.38

Type:
Unknown

AlogP:
2.94

Polar Surface Area:
90.49

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4527923

Name:
4-Phenylpiperidin-4-yl ((S)-1-(((S)-1-(benzo[d]thi
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Mol. Formula:
C36H46F3N7O6S

M.W.:
761.87

Type:
Unknown

AlogP:
4.57

Polar Surface Area:
171.32

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4518749

Name:
25-Chloro-18-methyl-13,14,17,20,22,23-hexahydro-1H
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Mol. Formula:
C26H27ClN4O6

M.W.:
526.98

20 activity values

Type:
Unknown

AlogP:
2.95

Polar Surface Area:
126.07

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA4547401

Name:
(S)-N-(4-carbamimidoylbenzyl)-1-(isobutylsulfonyl)
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Mol. Formula:
C19H30N4O5S

M.W.:
426.54

Type:
Unknown

AlogP:
1.04

Polar Surface Area:
116.35

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4744082

Name:
N-(2-(5-Amino-3-(pyridin-2-yl)-1H-1,2,4-triazol-1-
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Mol. Formula:
C16H14N6O2

M.W.:
322.33

8 activity values

Type:
Unknown

AlogP:
0.99

Polar Surface Area:
115.79

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4741823

Name:
(S)-1-((R)-2-amino-3-phenylpropanoyl)-N-((1-carbam
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Mol. Formula:
C21H32N6O2

M.W.:
400.53

3 activity values

2 unique targets

Type:
Unknown

AlogP:
0.27

Polar Surface Area:
128.54

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4740475

Name:
1-(5-Amino-3-(pyridin-2-yl)-1H-1,2,4-triazol-1-yl)
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Mol. Formula:
C15H13N5O

M.W.:
279.30

Type:
Unknown

AlogP:
1.81

Polar Surface Area:
86.69

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4764774

Name:
(5-Amino-3-(pyridin-2-yl)-1H-1,2,4-triazol-1-yl)(f
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Mol. Formula:
C12H9N5O2

M.W.:
255.24

Type:
Unknown

AlogP:
1.20

Polar Surface Area:
99.83

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4764057

Name:
(5-Amino-3-(pyridin-2-yl)-1H-1,2,4-triazol-1-yl)-(
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Mol. Formula:
C13H15N5O2

M.W.:
273.30

Type:
Unknown

AlogP:
0.99

Polar Surface Area:
95.92

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4762106

Name:
(5-Amino-3-(pyridin-2-yl)-1H-1,2,4-triazol-1-yl)(2
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Mol. Formula:
C14H10N6O3

M.W.:
310.27

3 unique targets

Type:
Unknown

AlogP:
1.52

Polar Surface Area:
129.83

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4761989

Name:
(S)-1-((R)-2-amino-3-phenylpropanoyl)-N-(4-(aminom
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Mol. Formula:
C22H28N4O2

M.W.:
380.49

4 activity values

3 unique targets

Type:
Unknown

AlogP:
1.32

Polar Surface Area:
101.45

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4761623

Name:
(5-Amino-3-(pyridin-2-yl)-1H-1,2,4-triazol-1-yl)(c
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Mol. Formula:
C14H17N5O

M.W.:
271.32