Compounds

Type:
Unknown

AlogP:
6.34

Polar Surface Area:
43.38

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4868673

Name:
2-((E)-4-Cyanostyryl)-1-methyl-4-((Z)-(3-(3-(4-met
Show More⌵

Mol. Formula:
C36H37IN4S

M.W.:
684.69

Type:
Unknown

AlogP:
7.74

Polar Surface Area:
34.15

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA5285441

Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ben
Show More⌵

Mol. Formula:
C24H31BCl2N2O4

M.W.:
493.24

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5284195

Name:
2-(2,6-bis(bromomethyl)-3,5-dimethoxyphenyl)-4,4,5
Show More⌵

Mol. Formula:
C16H23BBr2O4

M.W.:
449.98

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5283254

Name:
(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1
Show More⌵

Mol. Formula:
C18H25BO6

M.W.:
348.20

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4865626

Name:
2-((E)-4-Hydroxystyryl)-1-methyl-4-((Z)-(3-(3-(4-m
Show More⌵

Mol. Formula:
C35H38IN3OS

M.W.:
675.68

Type:
Unknown

AlogP:
7.57

Polar Surface Area:
30.59

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4863166

Name:
2-((E)-4-(Diphenylamino)styryl)-1-methyl-4-((Z)-(3
Show More⌵

Mol. Formula:
C45H43IN4OS

M.W.:
814.84

Type:
Unknown

AlogP:
9.94

Polar Surface Area:
22.83

HBA:
5

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA5291213

Name:
(5-hydroxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborol
Show More⌵

Mol. Formula:
C18H25BO7

M.W.:
364.20

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5287767

Name:
(5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborol
Show More⌵

Mol. Formula:
C19H27BO7

M.W.:
378.23

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4790526

Name:
5-(3,4-dimethoxyphenyl)-7-[2-(3,4-dimethoxyphenyl)
Show More⌵

Mol. Formula:
C25H26N2O4S

M.W.:
450.56

Type:
Unknown

AlogP:
5.64

Polar Surface Area:
52.52

HBA:
7

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4860686

Name:
2-((E)-4-Hydroxystyryl)-1-methyl-4-((Z)-(3-(3-morp
Show More⌵

Mol. Formula:
C33H34IN3O2S

M.W.:
663.63

Type:
Unknown

AlogP:
6.17

Polar Surface Area:
39.82

HBA:
5

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4849106

Name:
1-Methyl-4-((Z)-(3-(3-(4-methylpiperidin-1-yl)-pro
Show More⌵

Mol. Formula:
C36H40IN3S2

M.W.:
705.78

Type:
Unknown

AlogP:
8.59

Polar Surface Area:
10.36

HBA:
4

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4757444

Name:
5-(4-methoxyphenyl)-7-[2-(4-methoxyphenyl)vinyl]-2
Show More⌵

Mol. Formula:
C23H22N2O2S

M.W.:
390.51

Type:
Unknown

AlogP:
5.62

Polar Surface Area:
34.06

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5273374

Name:
2-chloro-N-(2-chloroethyl)-N-methyl-N-(4-(4,4,5,5-
Show More⌵

Mol. Formula:
C18H29BBrCl2NO2

M.W.:
453.06

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5273303

Name:
2-(2,6-bis(bromomethyl)-3,4,5-trimethoxyphenyl)-4,
Show More⌵

Mol. Formula:
C17H25BBr2O5

M.W.:
480.00

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5270245

Name:
N-(4-boronobenzyl)-2-chloro-N-(2-chloroethyl)-N-me
Show More⌵

Mol. Formula:
C12H19BBrCl2NO2

M.W.:
370.91

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5179793

Name:
4-{[(3-{[3-(dimethylamino)propyl]amino}-6-nitroqui
Show More⌵

Mol. Formula:
C21H23N7O2

M.W.:
405.46

2 activity values

2 unique targets

Type:
---

AlogP:
3.39

Polar Surface Area:
120.01

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4755571

Name:
5-(4-methoxyphenyl)-7-[2-(4-methoxyphenyl)vinyl]-3
Show More⌵

Mol. Formula:
C23H22N2O2S

M.W.:
390.51

Type:
Unknown

AlogP:
5.62

Polar Surface Area:
34.06

HBA:
5

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4793179

Name:
3-methyl-5-(p-tolyl)-7-[2-(p-tolyl)vinyl]-5H-thiaz
Show More⌵

Mol. Formula:
C23H22N2S

M.W.:
358.51

Type:
Unknown

AlogP:
6.22

Polar Surface Area:
15.60

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4792094

Name:
2-methyl-5-(2-thienyl)-7-[2-(2-thienyl)vinyl]-5H-t
Show More⌵

Mol. Formula:
C17H14N2S3

M.W.:
342.51