Compounds

Type:
Unknown

AlogP:
5.73

Polar Surface Area:
102.49

HBA:
4

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5093506

Name:
N1-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)phenyl)-N6-hydroxyadipaShow More⌵

Mol. Formula:
C20H20ClF3N4O4

M.W.:
472.85

Type:
Unknown

AlogP:
5.01

Polar Surface Area:
119.56

HBA:
4

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA5092946

Name:
Methyl 7-Methoxy-6-[4-(N-methyl-6-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thienoShow More⌵

Mol. Formula:
C33H42N4O8S

M.W.:
654.79

5 activity values

Type:
Unknown

AlogP:
4.24

Polar Surface Area:
144.53

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA5091862

Name:
2-((4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)phenyl)amino)-N-hydroxyShow More⌵

Mol. Formula:
C19H14ClF3N6O3

M.W.:
466.81

Type:
Unknown

AlogP:
4.66

Polar Surface Area:
128.27

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5091460

Name:
Methyl 6-[4-(Dimethylamino)phenyl]-2-methoxybenzo[d][1,3]dioxole-5-carboxylShow More⌵

Mol. Formula:
C18H19NO5

M.W.:
329.35

Type:
Unknown

AlogP:
2.94

Polar Surface Area:
57.23

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5090242

Name:
4-((5-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)indolin-1-yl)methyl)-N-Show More⌵

Mol. Formula:
C24H20ClF3N4O3

M.W.:
504.90

Type:
Unknown

AlogP:
5.68

Polar Surface Area:
93.70

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5089811

Name:
Methyl 7-Methoxy-6-[4-(N-methylmethylsulfonamido)phenyl]benzo[d][1,3]dioxolShow More⌵

Mol. Formula:
C18H19NO7S

M.W.:
393.42

Type:
Unknown

AlogP:
2.27

Polar Surface Area:
91.37

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5089517

Name:
Methyl 6-[4-(2-Amino-N-methylacetamido)phenyl]-7-methoxybenzo[d][1,3]dioxolShow More⌵

Mol. Formula:
C19H20N2O6

M.W.:
372.38

Type:
Unknown

AlogP:
1.80

Polar Surface Area:
100.32

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5089048

Name:
Methyl 7-Methoxy-6-{4-[N-methyl-2-(methylamino)acetamido]phenyl}benzo[d][1,Show More⌵

Mol. Formula:
C20H22N2O6

M.W.:
386.40

Type:
Unknown

AlogP:
2.06

Polar Surface Area:
86.33

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA5088565

Name:
Methyl 6-(4-{2-[(tert-Butoxycarbonyl)amino]-N-methylacetamido}phenyl)-7-metShow More⌵

Mol. Formula:
C24H28N2O8

M.W.:
472.49

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
112.63

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5088504

Name:
6-[4-(Dimethylamino)phenyl]-7-methoxy-N-(3-methoxyphenyl)benzo[d][1,3]dioxoShow More⌵

Mol. Formula:
C24H24N2O5

M.W.:
420.47

Type:
Unknown

AlogP:
4.42

Polar Surface Area:
69.26

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5088112

Name:
N-[2-(Diethylamino)ethyl]-6-[4-(dimethylamino)phenyl]-7-methoxybenzo[d][1,3Show More⌵

Mol. Formula:
C23H31N3O4

M.W.:
413.52

Type:
Unknown

AlogP:
3.23

Polar Surface Area:
63.27

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA5087770

Name:
4-(6-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)-3,4-dihydroquinolin-1(2Show More⌵

Mol. Formula:
C24H20ClF3N4O3

M.W.:
504.90

6 activity values

6 unique targets

Type:
Unknown

AlogP:
6.21

Polar Surface Area:
93.70

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA5087583

Name:
(E)-3-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)phenyl)-N-hydroxyacrShow More⌵

Mol. Formula:
C17H13ClF3N3O3

M.W.:
399.76

20 activity values

10 unique targets

Type:
Unknown

AlogP:
4.52

Polar Surface Area:
90.46

HBA:
3

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA5086690

Name:
4-((6-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)indolin-1-yl)methyl)-N-Show More⌵

Mol. Formula:
C24H20ClF3N4O3

M.W.:
504.90

13 activity values

7 unique targets

Type:
Unknown

AlogP:
5.68

Polar Surface Area:
93.70

HBA:
4

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5086245

Name:
Methyl (S)-6-[4-(2-Amino-N-methylpropanamido)phenyl]-7-methoxybenzo[d][1,3]Show More⌵

Mol. Formula:
C20H22N2O6

M.W.:
386.40

Type:
Unknown

AlogP:
2.19

Polar Surface Area:
100.32

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5085750

Name:
N1-(4-(3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido)phenyl)-N7-hydroxyheptaShow More⌵

Mol. Formula:
C21H22ClF3N4O4

M.W.:
486.88

Type:
Unknown

AlogP:
5.40

Polar Surface Area:
119.56

HBA:
4

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA5084874

Name:
Methyl 7-Methoxy-6-{4-[N-methyl-4-nitrophenylsulfonamido]phenyl}benzo[d][1,Show More⌵

Mol. Formula:
C23H20N2O9S

M.W.:
500.49

Type:
Unknown

AlogP:
3.61

Polar Surface Area:
134.51

HBA:
9

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA5084406

Name:
Methyl (S)-6-(4-{2-[(tert-Butoxycarbonyl)amino]-N-methylpropanamido}phenyl)Show More⌵

Mol. Formula:
C25H30N2O8

M.W.:
486.52