Compounds

Type:
Unknown

AlogP:
3.06

Polar Surface Area:
80.04

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4534773

Name:
(S)-2-(5-(2-cyclopropylethyl)-4-phenyl-1H-1,2,3-tr
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Mol. Formula:
C22H24N4O2

M.W.:
376.46

Type:
Unknown

AlogP:
3.58

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4530273

Name:
(S)-N-hydroxy-2-(5-pentyl-4-phenyl-1H-1,2,3-triazo
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Mol. Formula:
C22H26N4O2

M.W.:
378.48

Type:
Unknown

AlogP:
3.97

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4529036

Name:
(S)-2-(5-(cyclopropylethynyl)-4-(3,5-dimethoxyphen
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Mol. Formula:
C24H24N4O4

M.W.:
432.48

Type:
Unknown

AlogP:
3.01

Polar Surface Area:
98.50

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4526387

Name:
(S)-2-(4-(4-tert-butylphenyl)-5-(cyclopropylethyny
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Mol. Formula:
C26H28N4O2

M.W.:
428.54

Type:
Unknown

AlogP:
4.29

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4761368

Name:
5-(3-Adamantan-1-ylmethyl-3H-[1,2,3]triazol-4-yl)-
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Mol. Formula:
C18H22N4O2S

M.W.:
358.47

Type:
Unknown

AlogP:
3.34

Polar Surface Area:
80.04

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4779796

Name:
5-ethynylthiophene-2-carbohydroxamic acid

Mol. Formula:
C7H5NO2S

M.W.:
167.19

Type:
Unknown

AlogP:
0.85

Polar Surface Area:
49.33

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
Y

QED Weighted:
0.37

DETAILS

ALA4777856

Name:
2-aminopyridin-3-ol

Cas Number:
16867-03-1

Mol. Formula:
C5H6N2O

M.W.:
110.12

Type:
Unknown

AlogP:
0.37

Polar Surface Area:
59.14

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.51

DETAILS

ALA4591041

Name:
(S,E)-N-hydroxy-2-(5-(pent-1-enyl)-4-phenyl-1H-1,2
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Mol. Formula:
C22H24N4O2

M.W.:
376.46

Type:
Unknown

AlogP:
4.05

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4781695

Name:
N-(3,4-dibromophenyl)-2,4-5-(furan-2-ylmethylene)-
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Mol. Formula:
C16H10Br2N2O4S

M.W.:
486.14

2 activity values

2 unique targets

Type:
Unknown

AlogP:
4.48

Polar Surface Area:
79.62

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4790363

Name:
4-chloro-N3-(1,3-dimethyl-2-oxo-1,2-dihydroquinoli
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Mol. Formula:
C19H16ClN3O4

M.W.:
385.81

Type:
Unknown

AlogP:
2.87

Polar Surface Area:
100.43

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4846377

Name:
3-(hydroxycarbamoyl)-N-(4-methylpiperazin-1-yl)ben
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Mol. Formula:
C13H18N4O3

M.W.:
278.31

5 activity values

Type:
Unknown

AlogP:
-0.30

Polar Surface Area:
84.91

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4871087

Name:
N-[(2,4-dichlorophenyl)methoxy]-3-(hydroxycarbamoy
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Mol. Formula:
C15H12Cl2N2O4

M.W.:
355.18

5 activity values

Type:
Unknown

AlogP:
2.97

Polar Surface Area:
87.66

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4463058

Name:
N-hydroxy-8-(3-Methoxyphenyl)octanamide

Mol. Formula:
C15H23NO3

M.W.:
265.35

19 activity values

15 unique targets

Type:
Unknown

AlogP:
3.08

Polar Surface Area:
58.56

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4467770

Name:
(S,E)-2-(5-(2-cyclopropylvinyl)-4-phenyl-1H-1,2,3-
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Mol. Formula:
C22H22N4O2

M.W.:
374.44

Type:
Unknown

AlogP:
3.66

Polar Surface Area:
80.04

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4099064

Name:
3-[N-(3-Phenylpropyl)amino]-4-methylbenzhydroxamic
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Mol. Formula:
C17H20N2O2

M.W.:
284.36

10 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
61.36

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4097504

Name:
6,7-Dichloro-2-hydroxy-1,1-dioxo-1,4-dihydro-2H-1l
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Mol. Formula:
C7H4Cl2N2O4S

M.W.:
283.09

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.92

Polar Surface Area:
86.71

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4097353

Name:
3-[N-(4-Chlorobenzyl)amino]-4-methylbenzhydroxamic
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Mol. Formula:
C15H15ClN2O2

M.W.:
290.75

4 activity values

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
61.36

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4096293

Name:
(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)methyl thiom
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Mol. Formula:
C14H16ClNO2S3

M.W.:
361.94

12 activity values

12 unique targets

Type:
Small molecule

AlogP:
3.77

Polar Surface Area:
21.70

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4095909

Name:
3-(2,4-Dichlorobenzyloxy)-4-methoxybenzhydroxamic
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Mol. Formula:
C15H13Cl2NO4

M.W.:
342.18

4 activity values