Compounds

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4514252

Name:
4-(1-(3-(2-(Cyclopenta-1,3-dien-1-yl)allyl)-4-ethy
Show More⌵

Mol. Formula:
C22H17NO6

M.W.:
391.38

3 unique targets

Type:
Unknown

AlogP:
4.38

Polar Surface Area:
82.12

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4483672

Name:
3-(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-7-yl)-N-
Show More⌵

Mol. Formula:
C22H20BNO3

M.W.:
357.22

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4476577

Name:
3-(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-7-yl)-N-
Show More⌵

Mol. Formula:
C22H20BNO3

M.W.:
357.22

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4476029

Name:
2-Methoxy-5-(methyl(2-oxo-2H-chromen-4-yl)amino)ph
Show More⌵

Mol. Formula:
C19H16ClNO5

M.W.:
373.79

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
68.98

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4475764

Name:
7-(4-((2,4-Difluorophenyl)sulfonyl)-1,4-diazepan-1
Show More⌵

Mol. Formula:
C23H20F3N5O2S

M.W.:
487.51

Type:
Unknown

AlogP:
3.71

Polar Surface Area:
70.81

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4475521

Name:
6-Methoxy-5-nitro-2-(3,4,5-trimethoxybenzyl)naphth
Show More⌵

Mol. Formula:
C21H21NO7

M.W.:
399.40

3 unique targets

Type:
Unknown

AlogP:
4.08

Polar Surface Area:
100.29

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4474281

Name:
4-((2-(6-Methoxy-2-phenylquinolin-4-yl)hydrazono)m
Show More⌵

Mol. Formula:
C25H24N4O

M.W.:
396.49

2 unique targets

Type:
Unknown

AlogP:
5.42

Polar Surface Area:
49.75

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4540815

Name:
3-(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-7-yl)-N-
Show More⌵

Mol. Formula:
C16H16BNO3

M.W.:
281.12

5 activity values

5 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4540596

Name:
Cyclopropyl(4-(2-(4-fluorophenyl)imidazo[1,2-a]pyr
Show More⌵

Mol. Formula:
C21H22FN5O

M.W.:
379.44

Type:
Unknown

AlogP:
2.98

Polar Surface Area:
53.74

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4539196

Name:
(4-Chlorophenyl)(4-(2-(4-fluorophenyl)imidazo[1,2-
Show More⌵

Mol. Formula:
C24H21ClFN5O

M.W.:
449.92

Type:
Unknown

AlogP:
4.54

Polar Surface Area:
53.74

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4538421

Name:
5-Chloro-N-(2-methoxy-5-(methyl(2-oxo-2H-chromen-4
Show More⌵

Mol. Formula:
C22H23ClN2O4

M.W.:
414.89

120 activity values

21 unique targets

Type:
Unknown

AlogP:
4.92

Polar Surface Area:
71.78

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4537197

Name:
3-(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-7-yl)-N-
Show More⌵

Mol. Formula:
C16H15BClNO3

M.W.:
315.56

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4536227

Name:
(E)-1-(4-(3-hydroxy-9beta,13alpha-dimethyl-2-oxo-2
Show More⌵

Mol. Formula:
C40H50N2O4

M.W.:
622.85

5 activity values

Type:
Unknown

AlogP:
7.56

Polar Surface Area:
95.50

HBA:
4

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4525637

Name:
Integracide F

Mol. Formula:
C34H52O6

M.W.:
556.78

2 activity values

2 unique targets

Type:
Unknown

AlogP:
6.31

Polar Surface Area:
93.06

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4525338

Name:
2-Methoxy-6-(3,4,5-trimethoxybenzyl)naphthalene-1,
Show More⌵

Mol. Formula:
C21H22O6

M.W.:
370.40

3 unique targets

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
77.38

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4522137

Name:
2-Methoxy-5-(methyl(2-oxo-2H-chromen-4-yl)amino)ph
Show More⌵

Mol. Formula:
C22H23NO5

M.W.:
381.43

Type:
Unknown

AlogP:
4.67

Polar Surface Area:
68.98

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4519858

Name:
1-(4-(2-(4-Fluorophenyl)imidazo[1,2-a]pyrimidin-7-
Show More⌵

Mol. Formula:
C25H24FN5O

M.W.:
429.50

Type:
Unknown

AlogP:
3.82

Polar Surface Area:
53.74

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA4535451

Name:
(3S,5S,8R,9S,10S,13S,14S)-17-(2-(3,5-bis(3,5-dimet
Show More⌵

Mol. Formula:
C48H59N5O7

M.W.:
818.03

1 activity values

1 unique targets

Type:
Unknown

AlogP:
9.21

Polar Surface Area:
136.93

HBA:
11

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA4534779

Name:
3-(1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-7-yl)-N-
Show More⌵

Mol. Formula:
C12H16BNO3

M.W.:
233.08