Compounds

Type:
Unknown

AlogP:
3.48

Polar Surface Area:
82.53

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4649232

Name:
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[5-(ethylcarbamoylamino)pyridazin-Show More⌵

Mol. Formula:
C23H21Cl2N5O4

M.W.:
502.36

1 activity values

Type:
Unknown

AlogP:
4.02

Polar Surface Area:
133.31

HBA:
5

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4593110

Name:
(3S)-3-[3-(5-methylpyrazol-1-yl)phenyl]-4-[(3R)-1-methyl-3-[2-(5,6,7,8-tetrShow More⌵

Mol. Formula:
C29H37N5O2

M.W.:
487.65

Type:
Unknown

AlogP:
3.26

Polar Surface Area:
82.87

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA4589933

Name:
(3S)-4-[(3R)-1-methyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]Show More⌵

Mol. Formula:
C29H39N3O4

M.W.:
493.65

Type:
Unknown

AlogP:
2.93

Polar Surface Area:
83.51

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA4516070

Name:
(3S)-3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl)-4-((1S,3R)-1-ethyl-3-(2-(5,Show More⌵

Mol. Formula:
C31H41N5O2

M.W.:
515.70

Type:
Unknown

AlogP:
3.96

Polar Surface Area:
82.87

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4448207

Name:
(3S)-4-[(3S)-3-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]Show More⌵

Mol. Formula:
C28H37FN4O3

M.W.:
496.63

5 activity values

5 unique targets

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
77.93

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4446786

Name:
(3S)-4-[(3R)-1-methyl-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]Show More⌵

Mol. Formula:
C29H40N4O3

M.W.:
492.66

Type:
Unknown

AlogP:
2.60

Polar Surface Area:
77.52

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4446267

Name:
(S)-3-(3-(5-methyl-1H-pyrazol-1-yl)phenyl)-4-((R)-3-(2-(5,6,7,8-tetrahydro-Show More⌵

Mol. Formula:
C28H36ClN5O2

M.W.:
510.08

Type:
Unknown

AlogP:
4.45

Polar Surface Area:
83.28

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3981052

Name:
(S)-3-(4-(5-guanidinopentanamido)phenyl)-2-((S)-1-(4-methylnaphthalen-1-ylsShow More⌵

Mol. Formula:
C31H38N6O6S

M.W.:
622.75

Type:
Small molecule

AlogP:
2.71

Polar Surface Area:
194.78

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA3980112

Name:
(S)-3-(4-(5-guanidinopentanamido)phenyl)-2-((S)-1-(phenylsulfonyl)-2,5-dihyShow More⌵

Mol. Formula:
C26H32N6O6S

M.W.:
556.65

Type:
Small molecule

AlogP:
1.02

Polar Surface Area:
194.78

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA3974609

Name:
(S)-2-((S)-1-(4-fluoro-2-methylphenylsulfonyl)pyrrolidine-2-carboxamido)-3-Show More⌵

Mol. Formula:
C27H35FN6O6S

M.W.:
590.68

Type:
Small molecule

AlogP:
1.69

Polar Surface Area:
194.78

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3973646

Name:
(S)-2-[((S)-1-Benzenesulfonyl-pyrrolidine-2-carbonyl)-amino]-3-{4-[(3-guaniShow More⌵

Mol. Formula:
C32H40N6O6S

M.W.:
636.77

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
194.78

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3972051

Name:
(S)-3-(4-(5-guanidinopentanamido)phenyl)-2-((R)-3-(phenylsulfonyl)thiazolidShow More⌵

Mol. Formula:
C25H32N6O6S2

M.W.:
576.70

Type:
Small molecule

AlogP:
1.15

Polar Surface Area:
194.78

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3970391

Name:
(S)-3-(4-(4-(5-methylpyridin-2-ylamino)butanamido)phenyl)-2-((S)-1-(phenylsShow More⌵

Mol. Formula:
C30H35N5O6S

M.W.:
593.71

Type:
Small molecule

AlogP:
3.19

Polar Surface Area:
157.80

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3963334

Name:
(S)-3-(4-(4-guanidinobutanamido)phenyl)-2-((S)-1-tosylpyrrolidine-2-carboxaShow More⌵

Mol. Formula:
C26H34N6O6S

M.W.:
558.66

Type:
Small molecule

AlogP:
1.16

Polar Surface Area:
194.78

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3962679

Name:
(S)-3-(4-(2-(4-guanidinophenyl)acetamido)phenyl)-2-((S)-1-(phenylsulfonyl)pShow More⌵

Mol. Formula:
C29H32N6O6S

M.W.:
592.68

Type:
Small molecule

AlogP:
2.14

Polar Surface Area:
194.78

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3962660

Name:
(S)-3-(4-(4-guanidinobutanamido)phenyl)-2-((S)-1-(phenylsulfonyl)pyrrolidinShow More⌵

Mol. Formula:
C25H32N6O6S

M.W.:
544.63

Type:
Small molecule

AlogP:
0.85

Polar Surface Area:
194.78

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3960938

Name:
(S)-2-((S)-1-(5-(dimethylamino)naphthalen-1-ylsulfonyl)pyrrolidine-2-carboxShow More⌵

Mol. Formula:
C32H41N7O6S

M.W.:
651.79

Type:
Small molecule

AlogP:
2.46

Polar Surface Area:
198.02

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA3957812

Name:
(S)-3-(4-(5-guanidinopentanamido)phenyl)-2-((S)-1-(3-nitrophenylsulfonyl)pyShow More⌵

Mol. Formula:
C26H33N7O8S

M.W.:
603.66

Type:
Small molecule

AlogP:
1.15

Polar Surface Area:
237.92

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3953918

Name:
(S)-3-(4-(5-guanidinopentanamido)phenyl)-2-((S)-1-(2-nitrophenylsulfonyl)pyShow More⌵

Mol. Formula:
C26H33N7O8S

M.W.:
603.66