Compounds

Type:
---

AlogP:
3.62

Polar Surface Area:
58.64

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.92

DETAILS

ALA5205522

Name:
Cyclopropyl 2-(4-(trifluoromethyl)phenyl)-1H-indol-5-ylcarbamate

Mol. Formula:
C19H15F3N2O2

M.W.:
360.34

Type:
---

AlogP:
5.56

Polar Surface Area:
54.12

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5203943

Name:
Isopropyl 2-(4-(trifluoromethyl)phenyl)-1H-indol-5-ylcarbamate

Mol. Formula:
C19H17F3N2O2

M.W.:
362.35

Type:
---

AlogP:
5.81

Polar Surface Area:
54.12

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA5201977

Name:
Ethyl N-(8-amino-5-fluoro-1,1-dioxo-3-phenyl-3,4-dihydro-2H-1$l^6,4-benzothShow More⌵

Mol. Formula:
C17H18FN3O4S

M.W.:
379.41

Type:
---

AlogP:
2.92

Polar Surface Area:
110.52

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5200636

Name:
Cyclopropyl 2-amino-3,5,6-trifluoro-4-((3-fluoro-5-(trifluoromethyl)pyridinShow More⌵

Mol. Formula:
C17H13F7N4O2

M.W.:
438.30

8 activity values

5 unique targets

Type:
---

AlogP:
4.56

Polar Surface Area:
89.27

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5200181

Name:
Ethyl 2-(4-fluorophenyl)-1H-indol-5-ylcarbamate

Mol. Formula:
C17H15FN2O2

M.W.:
298.32

Type:
---

AlogP:
4.54

Polar Surface Area:
54.12

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5199379

Name:
3,3-dimethyl-N-(2-(4-(trifluoromethyl)phenyl)-1H-indol-5-yl)butanamide

Mol. Formula:
C21H21F3N2O

M.W.:
374.41

Type:
---

AlogP:
6.23

Polar Surface Area:
44.89

HBA:
1

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5186399

Name:
Ethyl N-[2-amino-5-deuterio-3-fluoro-4-[[4-(trifluoromethyl)phenyl]methylamShow More⌵

Mol. Formula:
C17H17F4N3O2

M.W.:
372.34

Type:
---

AlogP:
4.61

Polar Surface Area:
76.38

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA5185685

Name:
Ethyl 2-amino-3,5-difluoro-4-(4-(trifluoromethyl)benzylamino)phenylcarbamatShow More⌵

Mol. Formula:
C17H16F5N3O2

M.W.:
389.32

9 activity values

5 unique targets

Type:
---

AlogP:
4.75

Polar Surface Area:
76.38

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5185650

Name:
Benzyl (2S,3S,4S)-1-(isopropylcarbamoyl)-6-methoxy-3-methyl-2-phenyl-1,2,3,Show More⌵

Mol. Formula:
C29H33N3O4

M.W.:
487.60

Type:
---

AlogP:
5.98

Polar Surface Area:
79.90

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5181649

Name:
2-(3,5-difluorophenyl)-N-(2-(4-(trifluoromethyl)phenyl)-1H-indol-5-yl)acetaShow More⌵

Mol. Formula:
C23H15F5N2O

M.W.:
430.38

Type:
---

AlogP:
6.31

Polar Surface Area:
44.89

HBA:
1

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5179348

Name:
(2S,3S,4S)-4-acetamido-6-methoxy-3-methyl-2-phenyl-N-(4-(trifluoromethyl)phShow More⌵

Mol. Formula:
C27H26F3N3O3

M.W.:
497.52

Type:
---

AlogP:
6.32

Polar Surface Area:
70.67

HBA:
3

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5178988

Name:
N-(2,4-dibromophenyl)-2-[[4-methyl-5-(p-tolylmethylsulfanylmethyl)-1,2,4-trShow More⌵

Mol. Formula:
C20H20Br2N4OS2

M.W.:
556.35

18 activity values

11 unique targets

Type:
---

AlogP:
5.81

Polar Surface Area:
59.81

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5174338

Name:
N-((2R,3R,4S)-2-ethyl-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl)meShow More⌵

Mol. Formula:
C14H22N2O3S

M.W.:
298.41

Type:
---

AlogP:
2.13

Polar Surface Area:
67.43

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.89

DETAILS

ALA5174263

Name:
Benzyl (2R,3R,4S)-2-isopropyl-6-methoxy-3-methyl-1,2,3,4-tetrahydroquinolinShow More⌵

Mol. Formula:
C22H28N2O3

M.W.:
368.48

Type:
---

AlogP:
4.75

Polar Surface Area:
59.59

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA5173308

Name:
2-(4-(trifluoromethoxy)phenyl)-N-(2-(4-(trifluoromethyl)phenyl)-1H-indol-5-Show More⌵

Mol. Formula:
C24H16F6N2O2

M.W.:
478.39

Type:
---

AlogP:
6.93

Polar Surface Area:
54.12

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5172000

Name:
Ethyl 2-(4-methoxyphenyl)-1H-indol-5-ylcarbamate

Mol. Formula:
C18H18N2O3

M.W.:
310.35

Type:
---

AlogP:
4.41

Polar Surface Area:
63.35

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5169817

Name:
Ethyl 2-(4-(trifluoromethyl)phenyl)-1H-indol-5-ylcarbamate

Mol. Formula:
C18H15F3N2O2

M.W.:
348.32

Type:
---

AlogP:
5.42

Polar Surface Area:
54.12

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4590950

Name:
1-Cyclohexyl-3-(1-(4-fluorobenzyl)indolin-5-yl)urea

Mol. Formula:
C22H26FN3O

M.W.:
367.47

3 unique targets

Type:
Unknown

AlogP:
4.84

Polar Surface Area:
44.37

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA4586076

Name:
N-(1-(4-(Trifluoromethyl)benzyl)-1H-indol-5-yl)palmitamide

Mol. Formula:
C32H43F3N2O

M.W.:
528.70