Compounds

Type:
Unknown

AlogP:
4.01

Polar Surface Area:
79.88

HBA:
4

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4878060

Name:
2-(N-[2-[(2S)-4-benzyl-2-(1H-indol-3-ylmethyl)piperazin-1-yl]-2-oxoethyl]anShow More⌵

Mol. Formula:
C30H32N4O3

M.W.:
496.61

2 unique targets

Type:
Unknown

AlogP:
4.01

Polar Surface Area:
79.88

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4875775

Name:
(2S)-2-[[4-[benzenesulfonyl-(2-phenylethyl)amino]benzoyl]methylamino]-3-pheShow More⌵

Mol. Formula:
C31H30N2O5S

M.W.:
542.66

4 activity values

3 unique targets

Type:
Unknown

AlogP:
4.89

Polar Surface Area:
94.99

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4875608

Name:
(S)-2-(4-(4-fluoro-N-(2-morpholinoethyl)phenylsulfonamido)-N-methylbenzamidShow More⌵

Mol. Formula:
C29H32FN3O6S

M.W.:
569.66

Type:
Unknown

AlogP:
3.12

Polar Surface Area:
107.46

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA4874683

Name:
(S)-2-(4-(N-(2-(diethylamino)ethyl)-4-fluorophenylsulfonamido)-N-methylbenzShow More⌵

Mol. Formula:
C29H34FN3O5S

M.W.:
555.67

Type:
Unknown

AlogP:
4.13

Polar Surface Area:
98.23

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4873729

Name:
(S)-2-(4-(N-(2-(dimethylamino)ethyl)-4-fluorophenylsulfonamido)-N-methylbenShow More⌵

Mol. Formula:
C27H30FN3O5S

M.W.:
527.62

Type:
Unknown

AlogP:
3.35

Polar Surface Area:
98.23

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4868075

Name:
2-[[2-[(2S)-4-benzyl-2-(1H-indol-3-ylmethyl)piperazin-1-yl]-2-oxoethyl]methShow More⌵

Mol. Formula:
C25H30N4O3

M.W.:
434.54

Type:
Unknown

AlogP:
2.44

Polar Surface Area:
79.88

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4867897

Name:
(S)-2-(4-(4-fluoro-N-(2-(piperidin-1-yl)ethyl)phenylsulfonamido)-N-methylbeShow More⌵

Mol. Formula:
C30H34FN3O5S

M.W.:
567.68

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
98.23

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4866176

Name:
(S)-2-(N-methyl-4-(N-(2-(pyrrolidin-1-yl)ethyl)phenylsulfonamido)benzamido)Show More⌵

Mol. Formula:
C29H33N3O5S

M.W.:
535.67

Type:
Unknown

AlogP:
3.75

Polar Surface Area:
98.23

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4863321

Name:
(2S)-2-[[4-[(4-fluorophenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]benzoyl]Show More⌵

Mol. Formula:
C29H32FN3O5S

M.W.:
553.66

5 activity values

3 unique targets

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
98.23

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4859344

Name:
(2S)-2-[[4-[(4-fluorophenyl)sulfonyl-(2-phenylethyl)amino]benzoyl]methylamiShow More⌵

Mol. Formula:
C28H31FN2O5S

M.W.:
526.63

Type:
Unknown

AlogP:
4.84

Polar Surface Area:
94.99

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4857964

Name:
(2S)-2-[[4-[(4-fluorophenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]benzoyl]Show More⌵

Mol. Formula:
C26H34FN3O5S

M.W.:
519.64

Type:
Unknown

AlogP:
3.69

Polar Surface Area:
98.23

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4857924

Name:
(R)-2-(4-(4-fluoro-N-(2-(pyrrolidin-1-yl)ethyl)phenylsulfonamido)-N-methylbShow More⌵

Mol. Formula:
C29H32FN3O5S

M.W.:
553.66

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
98.23

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4854068

Name:
(S)-2-(4-(4-fluoro-N-(2-(pyrrolidin-1-yl)ethyl)phenylsulfonamido)-N-methylbShow More⌵

Mol. Formula:
C30H34FN3O5S

M.W.:
567.68

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
98.23

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4853478

Name:
(2S)-2-[methyl-[4-[methylsulfonyl-(2-pyrrolidin-1-ylethyl)amino]benzoyl]amiShow More⌵

Mol. Formula:
C24H31N3O5S

M.W.:
473.60

Type:
Unknown

AlogP:
2.32

Polar Surface Area:
98.23

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4853168

Name:
(S)-2-(4-(4-fluoro-N-(3-(pyrrolidin-1-yl)propyl)phenylsulfonamido)-N-methylShow More⌵

Mol. Formula:
C30H34FN3O5S

M.W.:
567.68

Type:
Unknown

AlogP:
4.27

Polar Surface Area:
98.23

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA4849358

Name:
(S)-2-(4-(4-fluoro-N-(2-(pyrrolidin-1-yl)ethyl)phenylsulfonamido)benzamido)Show More⌵

Mol. Formula:
C28H30FN3O5S

M.W.:
539.63

Type:
Unknown

AlogP:
3.54

Polar Surface Area:
107.02

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4846031

Name:
(2S)-2-[[4-[benzenesulfonyl-(2-phenylethyl)amino]benzoyl]methylamino]-4-metShow More⌵

Mol. Formula:
C28H32N2O5S

M.W.:
508.64

Type:
Unknown

AlogP:
4.70

Polar Surface Area:
94.99

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4535014

Name:
(S)-2-(2-(3-Hydroxy-2-oxopyridin-1(2H)-yl)acetamido)-3-(1H-indol-3-yl)propaShow More⌵

Mol. Formula:
C18H17N3O5

M.W.:
355.35