Compounds

ALA1683023

Name:
Phosphoric acid mono-[5-(6-chloro-purin-9-yl)-3,4-dihydroxy-tetrahydro-furaShow More⌵

Mol. Formula:
C10H12ClN4O7P

M.W.:
366.65

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.79

Polar Surface Area:
160.05

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

Inosine 5'-Monophosphate(IMP)

Name:
Phosphoric acid mono-[3,4-dihydroxy-5-(6-oxo-1,6-dihydro-purin-9-yl)-tetrahShow More⌵

Mol. Formula:
C10H13N4O8P

M.W.:
348.21

12 activity values

7 unique targets

Type:
Small molecule

AlogP:
-2.15

Polar Surface Area:
180.02

HBA:
9

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA610153

Name:
Phosphoric acid mono-[3,4-dihydroxy-5-(2-methoxy-6-oxo-1,6-dihydro-purin-9-Show More⌵

Mol. Formula:
C11H15N4O9P

M.W.:
378.23

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.73

Polar Surface Area:
189.51

HBA:
11

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA609835

Name:
Phosphoric acid mono-[3,4-dihydroxy-5-(6-oxo-2-propyl-1,6-dihydro-purin-9-yShow More⌵

Mol. Formula:
C13H19N4O8P

M.W.:
390.29

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.79

Polar Surface Area:
180.28

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA611590

Name:
Phosphoric acid mono-[5-(2-chloro-6-oxo-1,6-dihydro-purin-9-yl)-3,4-dihydroShow More⌵

Mol. Formula:
C10H12ClN4O8P

M.W.:
382.65

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.09

Polar Surface Area:
180.28

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA607780

Name:
Phosphoric acid mono-{(2R,3R,5R)-5-[2-((E)-2-fluoro-vinyl)-6-oxo-1,6-dihydrShow More⌵

Mol. Formula:
C12H14FN4O8P

M.W.:
392.24

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.80

Polar Surface Area:
180.28

HBA:
10

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA209069

Name:
(E)-(4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-2-mShow More⌵

Mol. Formula:
C17H23O7P

M.W.:
370.34

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.57

Polar Surface Area:
113.29

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA428633

Name:
(E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-2-meShow More⌵

Mol. Formula:
C16H21O6P

M.W.:
340.31

Type:
Small molecule

AlogP:
2.60

Polar Surface Area:
104.06

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA101754

Name:
2-{2-[2-(4-Amino-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-eShow More⌵

Mol. Formula:
C20H25NO5

M.W.:
359.42

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.25

Polar Surface Area:
98.85

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA101365

Name:
6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-hex-4Show More⌵

Mol. Formula:
C16H18O6

M.W.:
306.31

5 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.34

Polar Surface Area:
93.06

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA416079

Name:
N-tert-Butyl-N'-[3-methoxy-4-(1H-pyrrol-2-yl)-phenyl]-oxalamide

Mol. Formula:
C17H21N3O3

M.W.:
315.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.54

Polar Surface Area:
83.22

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA47067

Name:
N-tert-Butyl-N'-(3-hydroxy-4-oxazol-5-yl-phenyl)-oxalamide

Mol. Formula:
C15H17N3O4

M.W.:
303.32

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.90

Polar Surface Area:
104.46

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA45771

Name:
N-tert-Butyl-N'-(4-furan-2-yl-3-methoxy-phenyl)-oxalamide

Mol. Formula:
C17H20N2O4

M.W.:
316.36

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.81

Polar Surface Area:
80.57

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

3-Methoxy-4-(oxazol-5-yl)aniline

Name:
3-Methoxy-4-oxazol-5-yl-phenylamine

Mol. Formula:
C10H10N2O2

M.W.:
190.20

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.93

Polar Surface Area:
61.28

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA47830

Name:
N-tert-Butyl-N'-(3-ethyl-4-oxazol-5-yl-phenyl)-oxalamide

Mol. Formula:
C17H21N3O3

M.W.:
315.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.76

Polar Surface Area:
84.23

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA44696

Name:
N-tert-Butyl-N'-(3-ethoxy-4-oxazol-5-yl-phenyl)-oxalamide

Mol. Formula:
C17H21N3O4

M.W.:
331.37

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.59

Polar Surface Area:
93.46

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA47928

Name:
N-tert-Butyl-N'-(3-methyl-4-oxazol-5-yl-phenyl)-oxalamide

Mol. Formula:
C16H19N3O3

M.W.:
301.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
84.23

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA46358

Name:
N-tert-Butyl-N'-(3-methoxy-4-oxazol-4-yl-phenyl)-oxalamide

Mol. Formula:
C16H19N3O4

M.W.:
317.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
93.46

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA432699

Name:
N-tert-Butyl-N'-[3-methoxy-4-(4H-[1,2,4]triazol-3-yl)-phenyl]-oxalamide

Mol. Formula:
C15H19N5O3

M.W.:
317.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
1.33

Polar Surface Area:
109.00

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA297980

Name:
N-tert-Butyl-N'-(4-methoxy-3-oxazol-5-yl-phenyl)-oxalamide

Mol. Formula:
C16H19N3O4

M.W.:
317.35

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
2.20

Polar Surface Area:
93.46

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS