Compounds

2 unique targets

Type:
Unknown

AlogP:
1.32

Polar Surface Area:
47.28

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4798753

Name:
N-hydroxy-N-(3-(4-((4-(morpholinomethyl)phenyl)ethynyl)phenyl)propyl)formamShow More⌵

Mol. Formula:
C23H26N2O3

M.W.:
378.47

Type:
Unknown

AlogP:
2.70

Polar Surface Area:
53.01

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4797709

Name:
N-hydroxy-N-(1-hydroxy-3-(5((4-(morpholinomethylphenyl)ethyny1)-1H-benzor[dShow More⌵

Mol. Formula:
C23H25N5O4

M.W.:
435.48

Type:
Unknown

AlogP:
0.87

Polar Surface Area:
103.95

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4797132

Name:
N-(1-ethoxy-2-(5-((4-(morpholinomethylphenyl)ethynyl)-1H-benzo[d][1,2,3]triShow More⌵

Mol. Formula:
C24H27N5O4

M.W.:
449.51

4 activity values

4 unique targets

Type:
Unknown

AlogP:
1.87

Polar Surface Area:
92.95

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4796789

Name:
N-hydroxy-N-(2-(5-((4-(morpholinomethyl)phenyl)ethynyl)-1H-pyrrolo[3,2-b]pyShow More⌵

Mol. Formula:
C23H24N4O3

M.W.:
404.47

Type:
Unknown

AlogP:
2.12

Polar Surface Area:
70.83

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4795750

Name:
rac-1-(1-[(5-Phenyl-1,2-oxazol-3-yl)methyl]-1H-imidazol-2-yl)ethan-1-ol

Mol. Formula:
C15H15N3O2

M.W.:
269.30

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
64.08

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA4794968

Name:
N-hydroxy-N-(1-(5-((4-(morpholinomethyl)phenylethynyl)-1H-benzo[d][1,2,3]trShow More⌵

Mol. Formula:
C23H25N5O3

M.W.:
419.49

Type:
Unknown

AlogP:
1.90

Polar Surface Area:
83.72

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4794466

Name:
N-hydroxy-N-(1-methylsulfany1-2-[5-[2-[4-(morpholinomethyl)phenyl]ethynyl]bShow More⌵

Mol. Formula:
C23H25N5O3S

M.W.:
451.55

Type:
Unknown

AlogP:
2.20

Polar Surface Area:
83.72

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4794374

Name:
rac-1-[1-[3-[4-(2-Phenylethynyl)phenyl]propyl]imidazol-2-yl]ethanol

Mol. Formula:
C22H22N2O

M.W.:
330.43

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4794206

Name:
rac-1-(1-[3-(4-Chlorophenyl)propyl]-1H-imidazol-2-yl)ethan-1-ol

Mol. Formula:
C14H17ClN2O

M.W.:
264.76

Type:
Unknown

AlogP:
3.22

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA4793599

Name:
rac-1-[1-[3-(4-Phenylphenyl)propyl]imidazol-2-yl]ethanol

Mol. Formula:
C20H22N2O

M.W.:
306.41

Type:
Unknown

AlogP:
4.24

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4792641

Name:
rac-1-[1-[2-(4-Chlorophenyl)ethyl]imidazol-2-yl]ethanol

Mol. Formula:
C13H15ClN2O

M.W.:
250.73

Type:
Unknown

AlogP:
2.83

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.91

DETAILS

ALA4792585

Name:
rac-1-[1-[(4-Chlorophenyl)methyl]imidazol-2-yl]ethanol

Mol. Formula:
C12H13ClN2O

M.W.:
236.70

Type:
Unknown

AlogP:
2.64

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.89

DETAILS

ALA4786856

Name:
(2R)-2-Amino-3-hydroxy-1-(4-([4-(phenylethynyl)phenyl]methyl)piperidin-1-ylShow More⌵

Mol. Formula:
C23H26N2O2

M.W.:
362.47

1 activity values

Type:
Unknown

AlogP:
2.19

Polar Surface Area:
66.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4786712

Name:
N-hydroxy-N-1-(1S)-1-methylsulfany1-2-[5-[2-[4-[(2-oxo-2,(4-thia-6-azaspiroShow More⌵

Mol. Formula:
C23H23N5O3S2

M.W.:
481.60

7 activity values

Type:
Unknown

AlogP:
1.94

Polar Surface Area:
97.55

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4786538

Name:
N-hydroxy-N-(2-(5-((4-(morpholinomethyl)phenyl)ethynyl)-1H-indazol-1-yl)ethShow More⌵

Mol. Formula:
C23H24N4O3

M.W.:
404.47

Type:
Unknown

AlogP:
2.12

Polar Surface Area:
70.83

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4780842

Name:
N-(2-(hydroxyamino)-2-oxoethyl)-4-((4-(morpholinomethyl)phenyl)ethynyl)benzShow More⌵

Mol. Formula:
C22H23N3O4

M.W.:
393.44

5 activity values

Type:
Unknown

AlogP:
1.15

Polar Surface Area:
90.90

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4780225

Name:
N-((S)-2-(5-((4-(((3S,4S)-3,4-dihydroxypyrrolidin-1-ylmethyl)phenyl)ethynylShow More⌵

Mol. Formula:
C22H23N5O4S

M.W.:
453.52

6 activity values

Type:
Unknown

AlogP:
0.91

Polar Surface Area:
114.95

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4779531

Name:
N-hydroxy-N-(1-(5-((4-(morpholinomethyl)phenyl)ethyny1)-1H-benzo[d][1,2,3]tShow More⌵

Mol. Formula:
C24H27N5O3

M.W.:
433.51

Type:
Unknown

AlogP:
2.29

Polar Surface Area:
83.72

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4776397

Name:
(S)-N-hydroxy-N-(2-(5-((4((2-(hydroxymethyl)-1H-imidazol-1-yl)methyl)phenylShow More⌵

Mol. Formula:
C22H20N6O3S

M.W.:
448.51

6 activity values