Compounds

Type:
Unknown

AlogP:
4.49

Polar Surface Area:
37.38

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4876854

Name:
2,5-Dichloro-N-ethyl-N-phenylbenzenesulfonamide

Mol. Formula:
C14H13Cl2NO2S

M.W.:
330.24

Type:
Unknown

AlogP:
4.21

Polar Surface Area:
37.38

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4876593

Name:
N-(2-(2-(9-((2-methyl-2H-tetrazol-5-yl)(phenyl)met
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Mol. Formula:
C33H35N9O3

M.W.:
605.70

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
135.17

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4876583

Name:
2,5-Dichloro-N-ethyl-N-(4-(2-(4-methylpiperazin-1-
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Mol. Formula:
C21H25Cl2N3O3S

M.W.:
470.42

Type:
Unknown

AlogP:
3.53

Polar Surface Area:
60.93

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4876314

Name:
N-(2-fluorophenyl)-7-methyl-5-phenyl-[1,2,4]triazo
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Mol. Formula:
C19H14FN5O

M.W.:
347.35

4 unique targets

Type:
Unknown

AlogP:
3.49

Polar Surface Area:
72.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4874397

Name:
N-(2-(2-(4-((2-methyl-2H-tetrazol-5-yl)(4-(trifluo
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Mol. Formula:
C29H26F3N9O4

M.W.:
621.58

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
144.40

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4873982

Name:
(4aS,4a'S,4a''S,6aS,6bR,6a'S,6b'R,6a''S,6b''R,8aR,
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Mol. Formula:
C117H180N12O12

M.W.:
1946.80

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4873792

Name:
3-Chloro-N-(2,4-difluorophenyl)-N-ethylbenzenesulf
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Mol. Formula:
C14H12ClF2NO2S

M.W.:
331.77

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
37.38

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA4873645

Name:
N-(2-(2-(4-((2-fluorophenyl)(2-methyl-2H-tetrazol-
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Mol. Formula:
C28H26FN9O3

M.W.:
555.57

Type:
Unknown

AlogP:
3.06

Polar Surface Area:
135.17

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4873142

Name:
2,5-Dichloro-N-(2-chlorophenyl)-N-ethylbenzenesulf
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Mol. Formula:
C14H12Cl3NO2S

M.W.:
364.68

Type:
Unknown

AlogP:
4.86

Polar Surface Area:
37.38

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4872826

Name:
(4aS,4a'S,4a''S,6aS,6bR,6a'S,6b'R,6a''S,6b''R,8aR,
Show More⌵

Mol. Formula:
C114H174N12O6

M.W.:
1808.72

8 activity values

4 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4871759

Name:
(4aS,4a'S,6aS,6bR,6a'S,6b'R,8aR,8a'R,10S,10'S,12aR
Show More⌵

Mol. Formula:
C113H180N12O7

M.W.:
1818.76

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4871626

Name:
2,5-Dichloro-N-ethyl-N-(4-methylpyridin-3-yl)-benz
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Mol. Formula:
C14H14Cl2N2O2S

M.W.:
345.25

1 activity values

1 unique targets

Type:
Unknown

AlogP:
3.91

Polar Surface Area:
50.27

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4871331

Name:
N-(2-(2-(7-((2-methyl-2H-tetrazol-5-yl)(phenyl)met
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Mol. Formula:
C31H31N9O3

M.W.:
577.65

Type:
Unknown

AlogP:
3.70

Polar Surface Area:
135.17

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4871305

Name:
2,5-Dichloro-N-(4-chloro-2-methylphenyl)-N-(prop-2
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Mol. Formula:
C16H12Cl3NO2S

M.W.:
388.70

Type:
Unknown

AlogP:
4.78

Polar Surface Area:
37.38

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4871050

Name:
N-(4-((2,5-Dichloro-N-ethylphenyl)sulfonamido)phen
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Mol. Formula:
C18H20Cl2N2O3S

M.W.:
415.34

Type:
Unknown

AlogP:
3.89

Polar Surface Area:
66.48

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4870980

Name:
N-(2-(2-(4-((4-methoxyphenyl)(2-methyl-2H-tetrazol
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Mol. Formula:
C29H29N9O4

M.W.:
567.61

Type:
Unknown

AlogP:
2.93

Polar Surface Area:
144.40

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA4870860

Name:
(4aS,4a'S,6aS,6bR,6a'S,6b'R,8aR,8a'R,10S,10'S,12aR
Show More⌵

Mol. Formula:
C110H174N12O7

M.W.:
1776.68

10 activity values

5 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4870572

Name:
2,5-Dichloro-N-(2-cyanophenyl)-N-ethylbenzenesulfo
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Mol. Formula:
C15H12Cl2N2O2S

M.W.:
355.25

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
61.17

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4870061

Name:
bafilomycin G

Mol. Formula:
C36H60O9

M.W.:
636.87

3 activity values