Compounds

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
95.94

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4876465

Name:
tert-Butyl 4-((6-((1-(methanesulfonyl)piperidin-4-
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Mol. Formula:
C21H33F3N6O4S

M.W.:
522.59

1 activity values

Type:
Unknown

AlogP:
3.04

Polar Surface Area:
107.97

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4875358

Name:
tert-butyl 4-((6-(5-(methylsulfonyl)-2,3-dihydro-1
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Mol. Formula:
C24H30F3N5O4S

M.W.:
541.60

Type:
Unknown

AlogP:
4.30

Polar Surface Area:
95.94

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4873459

Name:
tert-Butyl 4-((2-methoxyethyl)(6-(5-(methylsulfony
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Mol. Formula:
C26H37N5O5S

M.W.:
531.68

Type:
Unknown

AlogP:
3.43

Polar Surface Area:
105.17

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4871114

Name:
tert-Butyl 4-(methyl(6-[5-(methylsulfonyl)-2,3-dih
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Mol. Formula:
C24H33N5O4S

M.W.:
487.63

Type:
Unknown

AlogP:
3.41

Polar Surface Area:
95.94

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4870635

Name:
N-(1-(3-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl
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Mol. Formula:
C21H29F4N7O4S

M.W.:
551.57

16 activity values

6 unique targets

Type:
Unknown

AlogP:
2.86

Polar Surface Area:
117.79

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4869157

Name:
N-(1-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-4
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Mol. Formula:
C24H28F3N7O3S

M.W.:
551.60

2 unique targets

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
108.56

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5284750

Name:
2-(1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl)propyl
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Mol. Formula:
C24H32N4O4S

M.W.:
472.61

Type:
---

AlogP:
3.49

Polar Surface Area:
92.70

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4858330

Name:
tert-Butyl 4-((cyclopropylmethyl)-(6-(5-(methylsul
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Mol. Formula:
C27H37N5O4S

M.W.:
527.69

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
95.94

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4857801

Name:
tert-butyl 4-((6-((1-(methylsulfonyl)azetidin-3-yl
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Mol. Formula:
C20H30F3N5O5S

M.W.:
509.55

1 activity values

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
105.17

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4856239

Name:
tert-Butyl 4-((6-(5-(methylsulfonyl)-2,3-dihydro-1
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Mol. Formula:
C23H31N5O4S

M.W.:
473.60

Type:
Unknown

AlogP:
3.39

Polar Surface Area:
104.73

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA1092240

Name:
N-(4-(1H-1,2,4-triazol-1-yl)phenyl)-5-nitro-6-(4-(
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Mol. Formula:
C22H21N9O2S

M.W.:
475.54

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
127.79

HBA:
11

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA1093453

Name:
isopropyl 4-(2-(6-(4-(propylsulfonyl)piperazin-1-y
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Mol. Formula:
C23H38N4O5S

M.W.:
482.65

Type:
Small molecule

AlogP:
2.97

Polar Surface Area:
92.28

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA1093452

Name:
isopropyl 4-(2-(6-(4-(ethylsulfonyl)piperazin-1-yl
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Mol. Formula:
C22H36N4O5S

M.W.:
468.62

Type:
Small molecule

AlogP:
2.58

Polar Surface Area:
92.28

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1090169

Name:
isopropyl 4-(6-(4-(ethylsulfonyl)piperazin-1-yl)py
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Mol. Formula:
C20H32N4O5S

M.W.:
440.57

Type:
Small molecule

AlogP:
1.94

Polar Surface Area:
92.28

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA1089839

Name:
N-(4-isopropylphenyl)-4-((6-(4-(propylsulfonyl)pip
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Mol. Formula:
C28H41N5O4S

M.W.:
543.73

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
95.08

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA1089838

Name:
morpholino(4-((6-(4-(propylsulfonyl)piperazin-1-yl
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Mol. Formula:
C23H37N5O5S

M.W.:
495.65

Type:
Small molecule

AlogP:
1.49

Polar Surface Area:
95.52

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA1089837

Name:
furan-2-yl(4-((6-(4-(propylsulfonyl)piperazin-1-yl
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Mol. Formula:
C23H32N4O5S

M.W.:
476.60

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
96.19

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA1093190

Name:
2,2-difluoro-1-(4-((6-(4-(propylsulfonyl)piperazin
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Mol. Formula:
C20H30F2N4O4S

M.W.:
460.55

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
83.05

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA1092657

Name:
N-cyclohexyl-4-((6-(4-(propylsulfonyl)piperazin-1-
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Mol. Formula:
C25H41N5O4S

M.W.:
507.70