Compounds

ALA5272043

Name:
N-([1,1'-biphenyl]-4-ylmethyl)-3-hydroxy-1-methyl-4-oxo-1,4-dihydropyridineShow More⌵

Mol. Formula:
C20H18N2O3

M.W.:
334.38

Type:
---

AlogP:
2.69

Polar Surface Area:
71.33

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5277375

Name:
4-[[2-(4-bromophenyl)acetyl]amino]-5-[(4-nitrophenyl)methylamino]-5-oxo-penShow More⌵

Mol. Formula:
C20H20BrN3O6

M.W.:
478.30

Type:
---

AlogP:
2.57

Polar Surface Area:
138.64

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5276809

Name:
(1R,2S,5R)-2-(((4'-chloro-[1,1'-biphenyl]-4-yl)methyl)thio)-5-((1,3-dioxoisShow More⌵

Mol. Formula:
C28H24ClNO4S

M.W.:
506.02

Type:
---

AlogP:
6.02

Polar Surface Area:
74.68

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5275186

Name:
N-([1,1'-biphenyl]-4-ylmethyl)-3-hydroxy-1,6-dimethyl-4-oxo-1,4-dihydropyriShow More⌵

Mol. Formula:
C21H20N2O3

M.W.:
348.40

Type:
---

AlogP:
3.00

Polar Surface Area:
71.33

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5274715

Name:
N-([1,1'-biphenyl]-4-ylmethyl)-3-hydroxy-4-oxo-4H-pyran-2-carboxamide

Mol. Formula:
C19H15NO4

M.W.:
321.33

Type:
---

AlogP:
2.94

Polar Surface Area:
79.54

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5284688

Name:
N-hydroxy-1-((4-methoxyphenyl)sulfonyl)-4,4-dimethylazepane-2-carboxamide

Mol. Formula:
C16H24N2O5S

M.W.:
356.44

Type:
---

AlogP:
1.77

Polar Surface Area:
95.94

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5283286

Name:
N-hydroxy-1-((4-methoxyphenyl)sulfonyl)-4-(pyridin-3-yl)piperazine-2-carboxShow More⌵

Mol. Formula:
C17H20N4O5S

M.W.:
392.44

Type:
---

AlogP:
0.48

Polar Surface Area:
112.07

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5220101

Name:
(2S,3S)-2-(2-(hydroxy(methyl)amino)-4-oxo-3-thioxocyclobut-1-enylamino)-3-mShow More⌵

Mol. Formula:
C21H28N4O4S

M.W.:
432.55

1 activity values

1 unique targets

Type:
---

AlogP:
1.78

Polar Surface Area:
110.77

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5205063

Name:
Batimastat

Mol. Formula:
C24H32N2O4S2

M.W.:
476.66

8 activity values

8 unique targets

Type:
---

AlogP:
4.19

Polar Surface Area:
95.50

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5199189

Name:
N-hydroxy-4-((4-(4-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl)phenyl)sulfonyl)Show More⌵

Mol. Formula:
C21H22N4O6S

M.W.:
458.50

10 activity values

10 unique targets

Type:
---

AlogP:
1.77

Polar Surface Area:
132.64

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5198463

Name:
4-((4-(4-([1,1'-biphenyl]-4-yl)-1H-1,2,3-triazol-1-yl)phenyl)sulfonyl)-N-hyShow More⌵

Mol. Formula:
C26H24N4O5S

M.W.:
504.57

10 activity values

10 unique targets

Type:
---

AlogP:
3.43

Polar Surface Area:
123.41

HBA:
8

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5196672

Name:
((2-aminocyclohexyl)carbamoyl)phosphonic acid

Mol. Formula:
C7H15N2O4P

M.W.:
222.18

17 activity values

11 unique targets

Type:
---

AlogP:
0.14

Polar Surface Area:
112.65

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5191016

Name:
(4R)-5-amino-4-((2R)-2-((2R)-3-((4-bromophenyl)(hydroxy)phosphoryl)-2-((3-(Show More⌵

Mol. Formula:
C35H35BrClN4O10P

M.W.:
818.01

10 activity values

10 unique targets

Type:
---

AlogP:
4.36

Polar Surface Area:
239.22

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
18

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA5190158

Name:
(R)-4-(3-([1,1'-biphenyl]-4-yl)propanamido)-5-(((S)-1-amino-4-carboxy-1-oxoShow More⌵

Mol. Formula:
C25H29N3O7

M.W.:
483.52

10 activity values

10 unique targets

Type:
---

AlogP:
1.47

Polar Surface Area:
175.89

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5187653

Name:
(2S)-2-allyl-N1-hydroxy-3-isobutyl-N4-((S)-1-(methylamino)-1-oxo-3-phenylprShow More⌵

Mol. Formula:
C21H31N3O4

M.W.:
389.50

15 activity values

9 unique targets

Type:
---

AlogP:
1.82

Polar Surface Area:
107.53

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5187183

Name:
(R)-N1-((S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl)-2-isopropylShow More⌵

Mol. Formula:
C20H28N4O3

M.W.:
372.47

1 activity values

1 unique targets

Type:
---

AlogP:
1.35

Polar Surface Area:
103.09

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

MMP-2 Inhibitor II

Name:
N-(4-(4-((oxiran-2-ylmethyl)sulfonyl)phenoxy)phenyl)methanesulfonamide

Mol. Formula:
C16H17NO6S2

M.W.:
383.45

6 activity values

6 unique targets

Type:
---

AlogP:
2.02

Polar Surface Area:
102.07

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA5182668

Name:
2-(4-(1-([1,1'-biphenyl]-4-yl)-1H-1,2,3-triazol-4-yl)phenylsulfonamido)-N-hShow More⌵

Mol. Formula:
C29H25N5O4S

M.W.:
539.62

10 activity values

10 unique targets

Type:
---

AlogP:
4.00

Polar Surface Area:
126.21

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5177819

Name:
(S)-benzyl (4-(hydroxyamino)-3-(N-isopropoxy-[1,1'-biphenyl]-4-ylsulfonamidShow More⌵

Mol. Formula:
C27H31N3O7S

M.W.:
541.63

6 activity values

6 unique targets

Type:
---

AlogP:
3.87

Polar Surface Area:
134.27

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5176328

Name:
4-((4-(4-(4-(dimethylamino)phenyl)-1H-1,2,3-triazol-1-yl)phenyl)sulfonyl)-NShow More⌵

Mol. Formula:
C22H25N5O5S

M.W.:
471.54

12 activity values

12 unique targets

Type:
---

AlogP:
1.83

Polar Surface Area:
126.65

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS