Compounds

ALA5272553

Name:
2-((1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl)methylene)hydrazine-1-carbothiShow More⌵

Mol. Formula:
C10H9ClN6S

M.W.:
280.74

Type:
---

AlogP:
1.09

Polar Surface Area:
81.12

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5269694

Name:
(S)-N-(1-((cyanomethyl)amino)-3-(1H-indol-2-yl)-1-oxopropan-2-yl)benzamide

Mol. Formula:
C20H18N4O2

M.W.:
346.39

Type:
---

AlogP:
2.15

Polar Surface Area:
97.78

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5278633

Name:
2-(((5-(4-bromo-2-chlorophenyl)furan-2-yl)methyl)amino)ethan-1-ol

Mol. Formula:
C13H13BrClNO2

M.W.:
330.61

Type:
---

AlogP:
3.44

Polar Surface Area:
45.40

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5276613

Name:
N-(2-(1H-benzo[d]imidazol-2-yl)ethyl)-2-((2-bromobenzyl)oxy)acetamide

Mol. Formula:
C18H18BrN3O2

M.W.:
388.26

Type:
---

AlogP:
3.20

Polar Surface Area:
67.01

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5276592

Name:
2-(((5-(4-chloro-3-(trifluoromethyl)phenyl)furan-2-yl)methyl)amino)propane-Show More⌵

Mol. Formula:
C15H15ClF3NO3

M.W.:
349.74

Type:
---

AlogP:
3.06

Polar Surface Area:
65.63

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5275787

Name:
2-((1-(4-bromo-2-chlorophenyl)-1H-1,2,3-triazol-4-yl)methylene)hydrazine-1-Show More⌵

Mol. Formula:
C10H8BrClN6S

M.W.:
359.64

Type:
---

AlogP:
1.85

Polar Surface Area:
81.12

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5275039

Name:
N-(2-(m-tolyloxy)ethyl)-1H-imidazole-1-carboxamide

Mol. Formula:
C13H15N3O2

M.W.:
245.28

Type:
---

AlogP:
1.83

Polar Surface Area:
56.15

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA5273607

Name:
2-(((5-(3,4-dichlorophenyl)furan-2-yl)methyl)amino)ethan-1-ol

Mol. Formula:
C13H13Cl2NO2

M.W.:
286.16

Type:
---

AlogP:
3.34

Polar Surface Area:
45.40

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5273337

Name:
2-(7-((S)-2-(4-((S)-2-((4-fluorobenzyl)amino)-3-methylbutan-2-yl)-1H-1,2,3-Show More⌵

Mol. Formula:
C32H38FN5O5

M.W.:
591.68

Type:
---

AlogP:
5.49

Polar Surface Area:
139.35

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA5285296

Name:
(S)-4-bromo-N-(1-((cyanomethyl)amino)-1-oxo-3-phenylpropan-2-yl)picolinamidShow More⌵

Mol. Formula:
C17H15BrN4O2

M.W.:
387.24

Type:
---

AlogP:
1.82

Polar Surface Area:
94.88

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5285273

Name:
N1-((5-(2,4-dichlorophenyl)furan-2-yl)methyl)-N3,N3-dimethylpropane-1,3-diaShow More⌵

Mol. Formula:
C16H20Cl2N2O

M.W.:
327.25

Type:
---

AlogP:
4.29

Polar Surface Area:
28.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5283531

Name:
2-(((5-(4-bromo-2-chlorophenyl)furan-2-yl)methyl)amino)propane-1,3-diol

Mol. Formula:
C14H15BrClNO3

M.W.:
360.64

Type:
---

AlogP:
2.81

Polar Surface Area:
65.63

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5283471

Name:
2-(7-((S)-2-(4-((S)-2-((4-methoxybenzyl)amino)-3-methylbutan-2-yl)-1H-1,2,3Show More⌵

Mol. Formula:
C33H41N5O6

M.W.:
603.72

Type:
---

AlogP:
5.36

Polar Surface Area:
148.58

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA5283356

Name:
2-(4-methyl-7-((S)-2-(4-((S)-3-methyl-2-((quinolin-6-ylmethyl)amino)butan-2Show More⌵

Mol. Formula:
C35H40N6O5

M.W.:
624.74

Type:
---

AlogP:
5.90

Polar Surface Area:
152.24

HBA:
9

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA5282829

Name:
2-(7-((S)-2-(4-((S)-2-((benzo[d]thiazol-6-ylmethyl)amino)-3-methylbutan-2-yShow More⌵

Mol. Formula:
C33H38N6O5S

M.W.:
630.77

Type:
---

AlogP:
5.96

Polar Surface Area:
152.24

HBA:
10

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5290080

Name:
N-((5-(4-bromo-2-chlorophenyl)furan-2-yl)methyl)-2-morpholinoethan-1-amine

Mol. Formula:
C17H20BrClN2O2

M.W.:
399.72

Type:
---

AlogP:
3.78

Polar Surface Area:
37.64

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5289907

Name:
N1-((5-(4-bromophenyl)furan-2-yl)methyl)-N3,N3-dimethylpropane-1,3-diamine

Mol. Formula:
C16H21BrN2O

M.W.:
337.26

Type:
---

AlogP:
3.75

Polar Surface Area:
28.41

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA5288196

Name:
2-(7-((S)-2-(4-((S)-2-(benzylamino)-3-methylbutan-2-yl)-1H-1,2,3-triazol-1-Show More⌵

Mol. Formula:
C32H39N5O5

M.W.:
573.69

Type:
---

AlogP:
5.35

Polar Surface Area:
139.35

HBA:
8

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA5287453

Name:
2-((5-(4-bromo-2-chlorophenyl)furan-2-yl)methylene)hydrazine-1-carbothioamiShow More⌵

Mol. Formula:
C12H9BrClN3OS

M.W.:
358.65

Type:
---

AlogP:
3.53

Polar Surface Area:
63.55

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5207461

Name:
N-[1-[(1-cyanocyclopropyl)carbamoyl]-3-methyl-butyl]-5-phenyl-furan-2-carboShow More⌵

Mol. Formula:
C21H23N3O3

M.W.:
365.43

1 activity values

1 unique targets

Type:
---

AlogP:
3.26

Polar Surface Area:
95.13

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.79

DETAILS