Compounds

ALA4571558

Name:
3-((5-fluoro-3-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)Show More⌵

Mol. Formula:
C21H23FN4O7

M.W.:
462.43

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-1.03

Polar Surface Area:
144.79

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4466668

Name:
3-((5-fluoro-3-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)Show More⌵

Mol. Formula:
C21H22FN3O8

M.W.:
463.42

9 activity values

3 unique targets

Type:
Unknown

AlogP:
-0.61

Polar Surface Area:
141.99

HBA:
11

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4442049

Name:
3-((1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yloxy)methyl)-5-methShow More⌵

Mol. Formula:
C16H12F9NO4

M.W.:
453.26

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.19

Polar Surface Area:
57.53

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4171658

Name:
2-((4-(Morpholinomethyl)phenyl)amino)-3,7,8-trimethyl-naphtho[1,2-b]furan-4Show More⌵

Mol. Formula:
C27H28N2O4

M.W.:
444.53

86 activity values

17 unique targets

Type:
Small molecule

AlogP:
4.70

Polar Surface Area:
71.78

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4162929

Name:
2-(4-Benzylpiperazine-1-carbonyl)-3,7,8-trimethylnaphtho[1,2-b]furan-4,5-diShow More⌵

Mol. Formula:
C27H26N2O4

M.W.:
442.52

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
4.21

Polar Surface Area:
70.83

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4094475

Name:
(Z)-2-(2-(2-methoxy-5-(3,4,5-trimethoxystyryl)phenoxy)propan-2-yl)-5-nitrotShow More⌵

Mol. Formula:
C25H27NO7S

M.W.:
485.56

13 activity values

7 unique targets

Type:
Small molecule

AlogP:
6.18

Polar Surface Area:
89.29

HBA:
8

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4086687

Name:
2-(3-Ethyl-1,2,4-oxadiazol-5-yl)naphtho[2,3-b]thiophene-4,9-dione

Mol. Formula:
C16H10N2O3S

M.W.:
310.33

8 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
73.06

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3765245

Name:
Naphtho[1',2':4,5]imidazo[1,2-a]quinoline-12,13-dione

Mol. Formula:
C19H10N2O2

M.W.:
298.30

13 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.53

Polar Surface Area:
51.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3763954

Name:
Naphtho[1',2':4,5]imidazo[1,2-a]pyrimidine-5,6-dione

Mol. Formula:
C14H7N3O2

M.W.:
249.23

13 activity values

8 unique targets

Type:
Small molecule

AlogP:
1.78

Polar Surface Area:
64.33

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA3763181

Name:
5,6-Dihydro-5,6-dioxo-3-nitro-naphtho[1',2':4,5]imidazo[1,2-a]pyridine

Mol. Formula:
C15H7N3O4

M.W.:
293.24

15 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
94.58

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3764106

Name:
5,6-Dihydro-5,6-dioxo-9-nitro-naphtho[1',2':4,5]imidazo[1,2-a]pyridine

Mol. Formula:
C15H7N3O4

M.W.:
293.24

13 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
94.58

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA3763610

Name:
5,6-Dihydro-5,6-dioxo-9-trifluoromethyl-naphtho[1',2':4,5]imidazo[1,2-a]pyrShow More⌵

Mol. Formula:
C16H7F3N2O2

M.W.:
316.24

13 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.40

Polar Surface Area:
51.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3763580

Name:
5,6-Dihydro-5,6-dioxo-9-bromo-naphtho[1',2':4,5]imidazo[1,2-a]pyridine

Mol. Formula:
C15H7BrN2O2

M.W.:
327.14

13 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.14

Polar Surface Area:
51.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3765372

Name:
5,6-Dihydro-5,6-dioxo-9-chloro-naphtho[1',2':4,5]imidazo[1,2-a]pyridine

Mol. Formula:
C15H7ClN2O2

M.W.:
282.69

13 activity values

8 unique targets

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
51.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA3763851

Name:
5,6-Dihydro-5,6-dioxo-9-fluoro-naphtho[1',2':4,5]imidazo[1,2-a]pyridine

Mol. Formula:
C15H7FN2O2

M.W.:
266.23

13 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.52

Polar Surface Area:
51.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3764977

Name:
5,6-Dihydro-5,6-dioxo-11-methyl-naphtho[1',2':4,5]imidazo[1,2-a]pyridine

Mol. Formula:
C16H10N2O2

M.W.:
262.27

13 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
51.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3764604

Name:
5,6-Dihydro-5,6-dioxo-10-methyl-naphtho[1',2':4,5]imidazo[1,2-a]pyridine

Mol. Formula:
C16H10N2O2

M.W.:
262.27

13 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
51.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA3765007

Name:
5,6-Dihydro-5,6-dioxo-9-methyl-naphtho[1',2':4,5]imidazo[1,2-a]pyridine

Mol. Formula:
C16H10N2O2

M.W.:
262.27

13 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
51.44

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
N

QED Weighted:
0.59

DETAILS