Compounds

1 unique targets

Type:
Unknown

AlogP:
5.12

Polar Surface Area:
83.45

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4779743

Name:
NA

Mol. Formula:
C31H36O7

M.W.:
520.62

1 unique targets

Type:
Unknown

AlogP:
5.64

Polar Surface Area:
83.45

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3786309

Name:
(2S,5S,8S,11S,14S,17S,20S)-14-((1H-indol-3-yl)methyl)-20-amino-1-((S)-2-((SShow More⌵

Mol. Formula:
C65H91N17O16

M.W.:
1366.55

1 unique targets

Type:
Protein

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3361419

Name:
N-((1-benzyl-4-(3,5-dimethoxyphenylamino)piperidin-4-yl)methyl)-2-guanidinoShow More⌵

Mol. Formula:
C24H34N6O3

M.W.:
454.58

9 activity values

6 unique targets

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
124.73

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3361418

Name:
N-((1-benzyl-4-(naphthalen-1-ylamino)piperidin-4-yl)methyl)-2-guanidinoacetShow More⌵

Mol. Formula:
C26H32N6O

M.W.:
444.58

9 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
106.27

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3361417

Name:
N-((1-benzyl-3-(benzylamino)piperidin-3-yl)methyl)-2-guanidinoacetamide

Mol. Formula:
C23H32N6O

M.W.:
408.55

Type:
Small molecule

AlogP:
1.41

Polar Surface Area:
106.27

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3361416

Name:
N-((1-benzyl-4-(phenylamino)piperidin-4-yl)methyl)-2-guanidinoacetamide

Mol. Formula:
C22H30N6O

M.W.:
394.52

13 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.73

Polar Surface Area:
106.27

HBA:
4

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3361415

Name:
tert-butyl N-[(1Z)-({4-[({[1-benzyl-4-(phenylamino)piperidin-4-yl]methyl}caShow More⌵

Mol. Formula:
C38H50N6O5

M.W.:
670.86

Type:
Small molecule

AlogP:
6.72

Polar Surface Area:
133.39

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3361414

Name:
tert-butyl(4-((1-benzyl-4-(phenylamino)piperidin-4-yl)methylcarbamoyl)phenyShow More⌵

Mol. Formula:
C37H48N6O5

M.W.:
656.83

Type:
Small molecule

AlogP:
6.79

Polar Surface Area:
133.39

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3361413

Name:
tert-butyl(3-((1-benzyl-4-(phenylamino)piperidin-4-yl)methylcarbamoyl)phenyShow More⌵

Mol. Formula:
C37H48N6O5

M.W.:
656.83

Type:
Small molecule

AlogP:
6.79

Polar Surface Area:
133.39

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3361412

Name:
tert-butyl 1-(1-benzyl-4-(phenylamino)piperidin-4-yl)-13,13-dimethyl-3,11-dShow More⌵

Mol. Formula:
C35H52N6O5

M.W.:
636.84

Type:
Small molecule

AlogP:
5.83

Polar Surface Area:
133.39

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3352907

Name:
tert-butyl 1-(1-benzyl-4-(phenylamino)piperidin-4-yl)-12,12-dimethyl-3,10-dShow More⌵

Mol. Formula:
C34H50N6O5

M.W.:
622.81

Type:
Small molecule

AlogP:
5.44

Polar Surface Area:
133.39

HBA:
7

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA2208340

Name:
N-((R)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-5-guanidino-1-oxopentShow More⌵

Mol. Formula:
C22H28N6O3

M.W.:
424.51

7 activity values

Type:
Small molecule

AlogP:
0.26

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA2208338

Name:
N-((R)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-5-guanidino-1-oxopentShow More⌵

Mol. Formula:
C28H32N6O3

M.W.:
500.60

6 activity values

Type:
Small molecule

AlogP:
1.93

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA2208336

Name:
N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-5-guanidino-1-oxopentShow More⌵

Mol. Formula:
C24H32N6O5

M.W.:
484.56

Type:
Small molecule

AlogP:
0.28

Polar Surface Area:
181.65

HBA:
6

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA2208335

Name:
N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-5-guanidino-1-oxopentShow More⌵

Mol. Formula:
C23H30N6O4

M.W.:
454.53

Type:
Small molecule

AlogP:
0.27

Polar Surface Area:
172.42

HBA:
5

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA2208334

Name:
N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-5-guanidino-1-oxopentShow More⌵

Mol. Formula:
C23H30N6O4

M.W.:
454.53

6 activity values

Type:
Small molecule

AlogP:
0.27

Polar Surface Area:
172.42

HBA:
5

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA2208333

Name:
N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-5-guanidino-1-oxopentShow More⌵

Mol. Formula:
C23H30N6O4

M.W.:
454.53

Type:
Small molecule

AlogP:
0.27

Polar Surface Area:
172.42

HBA:
5

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA2208332

Name:
N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-5-guanidino-1-oxopentShow More⌵

Mol. Formula:
C22H26Cl2N6O3

M.W.:
493.40

Type:
Small molecule

AlogP:
1.57

Polar Surface Area:
163.19

HBA:
4

HBD:
6

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA2208331

Name:
N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-5-guanidino-1-oxopentShow More⌵

Mol. Formula:
C22H26Cl2N6O3

M.W.:
493.40