Compounds

ALA5269437

Name:
Omuralide

Mol. Formula:
C10H15NO4

M.W.:
213.23

Type:
---

AlogP:
-0.57

Polar Surface Area:
75.63

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5269242

Name:

Mol. Formula:
C30H28N4O4

M.W.:
508.58

Type:
---

AlogP:
4.91

Polar Surface Area:
92.67

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5273859

Name:

Mol. Formula:
C30H25N5O3

M.W.:
503.56

Type:
---

AlogP:
4.78

Polar Surface Area:
107.23

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5287112

Name:

Mol. Formula:
C29H25ClN4O3

M.W.:
513.00

Type:
---

AlogP:
5.56

Polar Surface Area:
83.44

HBA:
4

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5286864

Name:

Mol. Formula:
C29H26N4O3

M.W.:
478.55

Type:
---

AlogP:
4.91

Polar Surface Area:
83.44

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5291286

Name:

Mol. Formula:
C25H22N6O3

M.W.:
454.49

Type:
---

AlogP:
3.02

Polar Surface Area:
120.12

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5287265

Name:

Mol. Formula:
C24H23N5O3

M.W.:
429.48

Type:
---

AlogP:
3.15

Polar Surface Area:
96.33

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5277601

Name:

Mol. Formula:
C21H21N5O3

M.W.:
391.43

Type:
---

AlogP:
2.33

Polar Surface Area:
107.23

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5267503

Name:

Mol. Formula:
C26H23N5O3

M.W.:
453.50

Type:
---

AlogP:
3.62

Polar Surface Area:
107.23

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5266432

Name:

Mol. Formula:
C25H25N5O4

M.W.:
459.51

Type:
---

AlogP:
3.16

Polar Surface Area:
105.56

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5205926

Name:
Mellain B

Mol. Formula:
C21H21NO5

M.W.:
367.40

6 activity values

6 unique targets

Type:
---

AlogP:
3.73

Polar Surface Area:
96.72

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5180193

Name:
Mellain A

Mol. Formula:
C21H22N2O3

M.W.:
350.42

8 activity values

8 unique targets

Type:
---

AlogP:
3.44

Polar Surface Area:
82.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.90

DETAILS

ALA5177192

Name:
8,10-dihydroxy-7-methoxy-3-(4-methylhex-2-en-2-yl)-8-(2-oxopropyl)-1H-benzoShow More⌵

Mol. Formula:
C24H28O6

M.W.:
412.48

7 activity values

7 unique targets

Type:
---

AlogP:
4.15

Polar Surface Area:
93.06

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4799302

Name:
(S)-N-((S)-1-(furan-2-yl)-4-methyl-1-oxopentan-2-yl)-3-(4-hydroxyphenyl)-2-Show More⌵

Mol. Formula:
C36H41N3O8S

M.W.:
675.80

15 activity values

11 unique targets

Type:
Unknown

AlogP:
4.33

Polar Surface Area:
164.04

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4797661

Name:
(S)-2-acetamido-N-((S)-1-(((S)-1-(furan-2-yl)-4-methyl-1-oxopentan-2-yl)amiShow More⌵

Mol. Formula:
C30H35N3O6

M.W.:
533.63

4 activity values

3 unique targets

Type:
Unknown

AlogP:
3.17

Polar Surface Area:
137.74

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4797098

Name:
(S)-4-(isobutylamino)-2-(4-methylphenylsulfonamido)-4-oxobutanoic acid

Mol. Formula:
C15H22N2O5S

M.W.:
342.42

2 activity values

1 unique targets

Type:
Unknown

AlogP:
0.89

Polar Surface Area:
112.57

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4796028

Name:
N-((S)-1-(((S)-1-(((S)-1-(furan-2-yl)-4-methyl-1-oxopentan-2-yl)amino)-3-(4Show More⌵

Mol. Formula:
C34H37N5O7

M.W.:
627.70

4 activity values

3 unique targets

Type:
Unknown

AlogP:
3.27

Polar Surface Area:
172.75

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4795524

Name:
N-isopropyl-N-((5-(pyrimidin-5-yl)pyridin-3-yl)methyl)benzofuran-2-carboxamShow More⌵

Mol. Formula:
C22H20N4O2

M.W.:
372.43

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
72.12

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4794342

Name:
Tert-butyl-4((S)-1-(((S)-3-(4-chlorophenyl)-1-(((S)-1-(furan-2-yl)-4-methylShow More⌵

Mol. Formula:
C34H42ClN3O7

M.W.:
640.18

4 activity values

3 unique targets

Type:
Unknown

AlogP:
5.52

Polar Surface Area:
135.97

HBA:
7

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA4793320

Name:
N-isopropyl-N-(3-(pyridin-3-yl)benzyl)benzofuran-2-carboxamide

Mol. Formula:
C24H22N2O2

M.W.:
370.45

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.55

Polar Surface Area:
46.34

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS