Compounds

ALA5199019

Name:
2-(4-chloro-3-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)naphtho[2,3-d]oxazolShow More⌵

Mol. Formula:
C24H22ClN3O4

M.W.:
451.91

4 activity values

2 unique targets

Type:
---

AlogP:
3.40

Polar Surface Area:
75.88

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5198688

Name:
2-(3-methoxyphenyl)naphtho[2,3-d]oxazole-4,9-dione

Mol. Formula:
C18H11NO4

M.W.:
305.29

4 activity values

2 unique targets

Type:
---

AlogP:
3.13

Polar Surface Area:
69.40

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5198412

Name:
(R)-2-(3-methoxy-5-((1-methylpyrrolidin-3-yl)oxy)phenyl)naphtho[2,3-d]oxazoShow More⌵

Mol. Formula:
C23H20N2O5

M.W.:
404.42

4 activity values

2 unique targets

Type:
---

AlogP:
3.21

Polar Surface Area:
81.87

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA5197365

Name:
(S)-2-(3-((1-methylpyrrolidin-3-yl)oxy)phenyl)naphtho[2,3-d]oxazole-4,9-dioShow More⌵

Mol. Formula:
C22H18N2O4

M.W.:
374.40

4 activity values

2 unique targets

Type:
---

AlogP:
3.20

Polar Surface Area:
72.64

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5196920

Name:
2-(2,3,5,6-tetrafluorophenyl)naphtho[2,3-d]oxazole-4,9-dione

Mol. Formula:
C17H5F4NO3

M.W.:
347.22

4 activity values

2 unique targets

Type:
---

AlogP:
3.67

Polar Surface Area:
60.17

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5196686

Name:
(R)-2-(2-chloro-5-((1-methylpyrrolidin-3-yl)oxy)phenyl)naphtho[2,3-d]oxazolShow More⌵

Mol. Formula:
C22H17ClN2O4

M.W.:
408.84

39 activity values

15 unique targets

Type:
---

AlogP:
3.85

Polar Surface Area:
72.64

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5196680

Name:
2-(3-fluoro-5-methoxyphenyl)naphtho[2,3-d]oxazole-4,9-dione

Mol. Formula:
C18H10FNO4

M.W.:
323.28

4 activity values

2 unique targets

Type:
---

AlogP:
3.26

Polar Surface Area:
69.40

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5196431

Name:
(R)-2-(3-((1-methylpyrrolidin-3-yl)oxy)phenyl)naphtho[2,3-d]oxazole-4,9-dioShow More⌵

Mol. Formula:
C22H18N2O4

M.W.:
374.40

4 activity values

2 unique targets

Type:
---

AlogP:
3.20

Polar Surface Area:
72.64

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5205501

Name:
(R)-2-(2-chloro-4-((1-methylpyrrolidin-3-yl)oxy)phenyl)naphtho[2,3-d]oxazolShow More⌵

Mol. Formula:
C22H17ClN2O4

M.W.:
408.84

4 activity values

2 unique targets

Type:
---

AlogP:
3.85

Polar Surface Area:
72.64

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5205171

Name:
4-(4,9-dioxo-4,9-dihydronaphtho[2,3-d]oxazol-2-yl)benzonitrile

Mol. Formula:
C18H8N2O3

M.W.:
300.27

5 activity values

3 unique targets

Type:
---

AlogP:
2.99

Polar Surface Area:
83.96

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5203773

Name:
2-(2-methoxyphenyl)naphtho[2,3-d]oxazole-4,9-dione

Mol. Formula:
C18H11NO4

M.W.:
305.29

4 activity values

2 unique targets

Type:
---

AlogP:
3.13

Polar Surface Area:
69.40

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA5203571

Name:
2-(4-nitrophenyl)naphtho[2,3-d]oxazole-4,9-dione

Mol. Formula:
C17H8N2O5

M.W.:
320.26

4 activity values

2 unique targets

Type:
---

AlogP:
3.03

Polar Surface Area:
103.31

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5203515

Name:
2-(2-chloro-3,6-difluorophenyl)naphtho[2,3-d]oxazole-4,9-dione

Mol. Formula:
C17H6ClF2NO3

M.W.:
345.69

5 activity values

3 unique targets

Type:
---

AlogP:
4.05

Polar Surface Area:
60.17

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5202495

Name:
(R)-2-(3-chloro-4-((1-methylpyrrolidin-3-yl)oxy)phenyl)naphtho[2,3-d]oxazolShow More⌵

Mol. Formula:
C22H17ClN2O4

M.W.:
408.84

4 activity values

2 unique targets

Type:
---

AlogP:
3.85

Polar Surface Area:
72.64

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5201734

Name:
2-(3-chloro-5-methoxyphenyl)naphtho[2,3-d]oxazole-4,9-dione

Mol. Formula:
C18H10ClNO4

M.W.:
339.73

4 activity values

2 unique targets

Type:
---

AlogP:
3.78

Polar Surface Area:
69.40

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5199269

Name:
2-(3-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)naphtho[2,3-d]oxazole-4,9-dioShow More⌵

Mol. Formula:
C24H23N3O4

M.W.:
417.47

4 activity values

2 unique targets

Type:
---

AlogP:
2.74

Polar Surface Area:
75.88

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5208574

Name:
2-(4-chloro-3-methoxyphenyl)naphtho[2,3-d]oxazole-4,9-dione

Mol. Formula:
C18H10ClNO4

M.W.:
339.73

4 activity values

2 unique targets

Type:
---

AlogP:
3.78

Polar Surface Area:
69.40

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5207642

Name:
2-phenyl-1H-naphtho[2,3-d]imidazole-4,9-dione

Mol. Formula:
C17H10N2O2

M.W.:
274.28

4 activity values

2 unique targets

Type:
---

AlogP:
2.85

Polar Surface Area:
62.82

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA5207357

Name:
2-(2-chloro-6-fluoro-3-methoxyphenyl)naphtho[2,3-d]oxazole-4,9-dione

Mol. Formula:
C18H9ClFNO4

M.W.:
357.72

4 activity values

2 unique targets

Type:
---

AlogP:
3.92

Polar Surface Area:
69.40

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5206912

Name:
2-(3-fluoro-5-methoxyphenyl)-1H-naphtho[2,3-d]imidazole-4,9-dione

Mol. Formula:
C18H11FN2O3

M.W.:
322.30

4 activity values

2 unique targets

Type:
---

AlogP:
3.00

Polar Surface Area:
72.05

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.62

DETAILS