Compounds

Type:
Unknown

AlogP:
1.29

Polar Surface Area:
98.49

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4742289

Name:
(S)-2-Amino-3-hydroxy-N-(3-(trifluoromethoxy)pheny
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Mol. Formula:
C10H11F3N2O3

M.W.:
264.20

Type:
Unknown

AlogP:
0.84

Polar Surface Area:
84.58

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4741753

Name:
N-(1-(ethylthio)-2-(5-((4-(morpholinomethyl)phenyl
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Mol. Formula:
C24H27N5O3S

M.W.:
465.58

Type:
Unknown

AlogP:
2.59

Polar Surface Area:
83.72

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4776397

Name:
(S)-N-hydroxy-N-(2-(5-((4((2-(hydroxymethyl)-1H-im
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Mol. Formula:
C22H20N6O3S

M.W.:
448.51

6 activity values

Type:
Unknown

AlogP:
2.05

Polar Surface Area:
109.30

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4776312

Name:
(2S)-2-Amino-3-methylsulfonyl-N-[3-(trifluorometho
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Mol. Formula:
C11H13F3N2O4S

M.W.:
326.30

Type:
Unknown

AlogP:
0.90

Polar Surface Area:
98.49

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4776055

Name:
N-hydroxy-N-(2-(5-((4-(morpholinomethyl)phenyl)eth
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Mol. Formula:
C24H25N3O3

M.W.:
403.48

Type:
Unknown

AlogP:
2.72

Polar Surface Area:
57.94

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4765058

Name:
(2R)-2-Amino-1-(4-benzylpiperidin-1-yl)-3-hydroxyp
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Mol. Formula:
C15H22N2O2

M.W.:
262.35

1 activity values

Type:
Unknown

AlogP:
0.79

Polar Surface Area:
66.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4763862

Name:
N-hydroxy-N-1-(1R)-1-methylsulfanyl-2-[5-[2-[4-(mo
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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

ALA4763800

Name:
[1-[3-(4-Chlorophenyl)propyl]imidazol-2-yl]methano
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Mol. Formula:
C13H15ClN2O

M.W.:
250.73

Type:
Unknown

AlogP:
2.66

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4761278

Name:
N-hydroxy-N-(2-(5-((4-(morpholinomethyl)phenyl)eth
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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

ALA4760487

Name:
rac-1-(4-chlorophenoxy)-3-imidazol-1-yl-propan-2-o
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Mol. Formula:
C12H13ClN2O2

M.W.:
252.70

Type:
Unknown

AlogP:
1.98

Polar Surface Area:
47.28

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA4760055

Name:
N-hydroxy-N-(2-(5((4-(morpholinomethyl)phenyl)ethy
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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

ALA4759498

Name:
rac-1-[1-[2-[4-(2-Phenylethynyl)phenyl]ethyl]imida
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Mol. Formula:
C21H20N2O

M.W.:
316.40

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
38.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA4759491

Name:
(2R)-2-Amino-3-(methanesulfonamido)-N-[3-(trifluor
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Mol. Formula:
C11H14F3N3O4S

M.W.:
341.31

Type:
Unknown

AlogP:
0.40

Polar Surface Area:
110.52

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4758871

Name:
S)-N-(2-(5-((4-(2-oxa-6-azaspiro[3.3]heptan-6-ylme
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Mol. Formula:
C23H23N5O3S

M.W.:
449.54

6 activity values

Type:
Unknown

AlogP:
2.20

Polar Surface Area:
83.72

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4758755

Name:
2-amino-N-[3-(trifluoromethoxy)phenyl]acetamide

Mol. Formula:
C9H9F3N2O2

M.W.:
234.18

2 unique targets

Type:
Unknown

AlogP:
1.48

Polar Surface Area:
64.35

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA4756745

Name:
N-hydroxy-N-(rac-(38,4R)-6-hydroxy-4-(6-((4-(morph
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Mol. Formula:
C28H34N4O4

M.W.:
490.60

5 activity values

Type:
Unknown

AlogP:
3.28

Polar Surface Area:
101.92

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4756364

Name:
N-hydroxy-N-(1-(64(4-(morpholinomethyl)phenypethyn
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Mol. Formula:
C25H28N4O3

M.W.:
432.52

5 activity values

Type:
Unknown

AlogP:
2.96

Polar Surface Area:
81.69

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4755686

Name:
(3R)-3-Amino-4-oxo-4-[3-(trifluoromethoxy)anilino]
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Mol. Formula:
C11H11F3N2O4

M.W.:
292.21

Type:
Unknown

AlogP:
1.33

Polar Surface Area:
101.65

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4780842

Name:
N-(2-(hydroxyamino)-2-oxoethyl)-4-((4-(morpholinom
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Mol. Formula:
C22H23N3O4

M.W.:
393.44

5 activity values