Compounds

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
116.84

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4757035

Name:
N-Hydroxy-4-(2-fluoroacridin-9-ylamino)benzamide

Mol. Formula:
C20H14FN3O2

M.W.:
347.35

Type:
Unknown

AlogP:
4.39

Polar Surface Area:
74.25

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4756752

Name:
N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1H-imidazol-
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Mol. Formula:
C23H30FN5O2

M.W.:
427.52

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
101.88

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4765128

Name:
(2S)-N-[(1S)-1-[4-cyano-2-(2-methoxy-3-quinolyl)-1
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Mol. Formula:
C32H40N6O3

M.W.:
556.71

Type:
Unknown

AlogP:
5.32

Polar Surface Area:
124.00

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4754763

Name:
N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1H-imidazol-
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Mol. Formula:
C24H30FN5O2

M.W.:
439.54

Type:
Unknown

AlogP:
3.74

Polar Surface Area:
101.88

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4753828

Name:
N-Hydroxy-3-(acridin-9-ylamino)benzamide

Mol. Formula:
C20H15N3O2

M.W.:
329.36

6 activity values

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
74.25

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4753795

Name:
N-Hydroxy-4-(1,2,3-trimethoxyacridin-9-ylamino)ben
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Mol. Formula:
C23H21N3O5

M.W.:
419.44

Type:
Unknown

AlogP:
4.28

Polar Surface Area:
101.94

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4752558

Name:
N-Hydroxy-4-(quinolin-4-ylamino)benzamide

Mol. Formula:
C16H13N3O2

M.W.:
279.30

Type:
Unknown

AlogP:
3.10

Polar Surface Area:
74.25

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4751082

Name:
N-Hydroxy-4-(2-trifluoromethoxyacridin-9-ylamino)b
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Mol. Formula:
C21H14F3N3O3

M.W.:
413.36

Type:
Unknown

AlogP:
5.15

Polar Surface Area:
83.48

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4750838

Name:
N-Hydroxy-4-(7-chloro-2-methoxybenzo[b][1,5]naphth
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Mol. Formula:
C20H15ClN4O3

M.W.:
394.82

Type:
Unknown

AlogP:
4.31

Polar Surface Area:
96.37

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4796175

Name:
2-(4-fluorophenyl)-5-[(1S)-7-oxo-1-(tetrahydropyra
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Mol. Formula:
C25H33FN4O4

M.W.:
472.56

Type:
Unknown

AlogP:
3.83

Polar Surface Area:
127.17

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4796066

Name:
N-Hydroxy-4-(2-bromoacridin-9-ylamino)benzamide

Mol. Formula:
C20H14BrN3O2

M.W.:
408.26

32 activity values

15 unique targets

Type:
Unknown

AlogP:
5.01

Polar Surface Area:
74.25

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4793558

Name:
N-[1-[4-(morpholine-4-carbonyl)-2-phenyl-1H-imidaz
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Mol. Formula:
C27H33N5O4S

M.W.:
523.66

Type:
Unknown

AlogP:
4.41

Polar Surface Area:
117.28

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4799871

Name:
N-Hydroxy-4-(5,6,7,8-tetrahydroacridin-9-ylamino)b
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Mol. Formula:
C20H19N3O2

M.W.:
333.39

Type:
Unknown

AlogP:
3.98

Polar Surface Area:
74.25

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4797893

Name:
(2S)-N-[(1S)-1-[4-cyano-2-[4-(trifluoromethyl)phen
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Mol. Formula:
C29H36F3N5O2

M.W.:
543.63

Type:
Unknown

AlogP:
5.79

Polar Surface Area:
101.88

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4797194

Name:
(2S)-N-[(1S)-1-[4-cyano-2-(2,4-difluorophenyl)-1H-
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Mol. Formula:
C28H35F2N5O2

M.W.:
511.62

Type:
Unknown

AlogP:
5.05

Polar Surface Area:
101.88

HBA:
5

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4785376

Name:
(2S)-N-[(1S)-1-[4-carbamoyl-2-(4-fluorophenyl)-1H-
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Mol. Formula:
C29H40FN5O3

M.W.:
525.67

14 activity values

7 unique targets

Type:
Unknown

AlogP:
4.52

Polar Surface Area:
121.18

HBA:
5

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4762873

Name:
N-Hydroxy-4-(acridin-9-ylamino)benzamide

Mol. Formula:
C20H15N3O2

M.W.:
329.36

23 activity values

13 unique targets

Type:
Unknown

AlogP:
4.25

Polar Surface Area:
74.25

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4761973

Name:
(2S)-N-[(1S)-1-[4-cyano-2-(2-methylindazol-5-yl)-1
Show More⌵

Mol. Formula:
C30H39N7O2

M.W.:
529.69

Type:
Unknown

AlogP:
4.65

Polar Surface Area:
119.70

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4761847

Name:
N-Hydroxy-4-(2-benzyloxyacridin-9-ylamino)benzamid
Show More⌵

Mol. Formula:
C27H21N3O3

M.W.:
435.48