Compounds

Type:
Unknown

AlogP:
3.06

Polar Surface Area:
67.43

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4753529

Name:
(E)-2,2,4-trimethyl-N-(3-(methylsulfonyl)allyl)-1,
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Mol. Formula:
C17H22N2O3S

M.W.:
334.44

14 activity values

6 unique targets

Type:
Unknown

AlogP:
2.58

Polar Surface Area:
75.27

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4751121

Name:
(S,E)-2,2,4-trimethyl-N-(4-(methylsulfonyl)-1-phen
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Mol. Formula:
C24H28N2O3S

M.W.:
424.57

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
75.27

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4794421

Name:
(S,E)-2,2,4-trimethyl-N-(4-(methylsufonyl)-1-pheny
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Mol. Formula:
C24H30N2O3S

M.W.:
426.58

Type:
Unknown

AlogP:
4.28

Polar Surface Area:
75.27

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4792762

Name:
Methyl (E)-4-(1,2,3,4-tetrahydroquinoline-8-carbox
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Mol. Formula:
C15H18N2O3

M.W.:
274.32

5 activity values

Type:
Unknown

AlogP:
1.50

Polar Surface Area:
67.43

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4785387

Name:
methyl (E)-4-(2,2,4-trimethyl-1,2,3,4-tetrahydroqu
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Mol. Formula:
C18H24N2O3

M.W.:
316.40

11 activity values

6 unique targets

Type:
Unknown

AlogP:
2.84

Polar Surface Area:
67.43

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4782964

Name:
Methyl (E)-4-(2,2,4-trimethyl-1,2-dihydroquinoline
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Mol. Formula:
C18H22N2O3

M.W.:
314.39

10 activity values

5 unique targets

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
67.43

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4778446

Name:
Methyl 4-(2,2,4-trimethyl-1,2-dihydroquinoline-8-c
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Mol. Formula:
C18H24N2O3

M.W.:
316.40

Type:
Unknown

AlogP:
2.98

Polar Surface Area:
67.43

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4760407

Name:
(E)-2,2,4-trimethyl-N-(3-(methylsulfonyl)allyl)-1,
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Mol. Formula:
C17H24N2O3S

M.W.:
336.46

17 activity values

7 unique targets

Type:
Unknown

AlogP:
2.67

Polar Surface Area:
75.27

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4759030

Name:
(S,E)-2,2,4-trimethyl-N-(4-(methylsulfonyl)but-3-e
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Mol. Formula:
C18H24N2O3S

M.W.:
348.47

12 activity values

6 unique targets

Type:
Unknown

AlogP:
2.97

Polar Surface Area:
75.27

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4758975

Name:
(S,E)-2,2,4-trimethyl-N-(4-(methylsulfonyl)but-3-e
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Mol. Formula:
C18H26N2O3S

M.W.:
350.48

9 activity values

5 unique targets

Type:
Unknown

AlogP:
3.06

Polar Surface Area:
75.27

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.87

DETAILS

ALA4758747

Name:
Methyl 4-(2,2,4,6-tetramethyl-1,2-dihydroquinoline
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Mol. Formula:
C19H26N2O3

M.W.:
330.43

Type:
Unknown

AlogP:
3.29

Polar Surface Area:
67.43

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4757849

Name:
Methyl 4-(1,2,3,4-tetrahydroquinoline-8-carboxamid
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Mol. Formula:
C15H20N2O3

M.W.:
276.34

Type:
Unknown

AlogP:
1.73

Polar Surface Area:
67.43

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA4788109

Name:
Methyl 4-(2,2,4-trimethyl-1,2,3,4-tetrahydroquinol
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Mol. Formula:
C18H26N2O3

M.W.:
318.42

Type:
Unknown

AlogP:
3.07

Polar Surface Area:
67.43

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4748474

Name:
Methyl (E)-4-(5-bromo-1H-indole-3-carboxamido)but-
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Mol. Formula:
C14H13BrN2O3

M.W.:
337.17

Type:
Unknown

AlogP:
2.39

Polar Surface Area:
71.19

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4748176

Name:
2-(1,4-dimethylpiperazin-2-ylideneamino)-5-nitro-N
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Mol. Formula:
C19H21N5O3

M.W.:
367.41

Type:
Unknown

AlogP:
2.75

Polar Surface Area:
91.08

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3344455

Name:
2-(4-Ethylpiperazin-1-yl)-6-nitro-3-phenylquinazol
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Mol. Formula:
C20H21N5O3

M.W.:
379.42

Type:
Small molecule

AlogP:
2.44

Polar Surface Area:
84.51

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3344454

Name:
3-(4-(dimethylamino)phenyl)-6-nitro-2-(piperazin-1
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Mol. Formula:
C21H24N6O3

M.W.:
408.46

Type:
Small molecule

AlogP:
1.77

Polar Surface Area:
96.54

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3344453

Name:
3-(3-(dimethylamino)phenyl)-6-nitro-2-(piperazin-1
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Mol. Formula:
C21H24N6O3

M.W.:
408.46

Type:
Small molecule

AlogP:
1.77

Polar Surface Area:
96.54

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA3344452

Name:
3-(2-methoxyphenyl)-6-nitro-2-(piperazin-1-ylmethy
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Mol. Formula:
C20H21N5O4

M.W.:
395.42