Compounds

ALA3983710

Name:
(S)-5-(diphenylphosphoryloxy)-3-((S)-2-(2-(2-iodophenylamino)-2-oxoacetamidShow More⌵

Mol. Formula:
C28H27IN3O8P

M.W.:
691.41

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.21

Polar Surface Area:
167.97

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3983217

Name:
(S)-5-(diphenylphosphoryloxy)-3-((S)-2-(2-(4-fluorophenylamino)-2-oxoacetamShow More⌵

Mol. Formula:
C28H27FN3O8P

M.W.:
583.51

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.74

Polar Surface Area:
167.97

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA3981787

Name:
(3S)-3-((2S)-3-methyl-2-(2-oxo-2-(2,3,3a,7a-tetrahydro-1H-inden-5-ylamino)aShow More⌵

Mol. Formula:
C27H29F4N3O7

M.W.:
583.53

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.28

Polar Surface Area:
150.90

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA3977587

Name:
(S)-5-(2,6-dichlorobenzoyloxy)-3-((S)-2-(2-(2-iodophenylamino)-2-oxoacetamiShow More⌵

Mol. Formula:
C23H20Cl2IN3O8

M.W.:
664.24

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.43

Polar Surface Area:
167.97

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA3976524

Name:
(S)-3-((S)-3-methyl-2-(2-(naphthalen-1-ylamino)-2-oxoacetamido)butanamido)-Show More⌵

Mol. Formula:
C32H33N3O10

M.W.:
619.63

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.58

Polar Surface Area:
186.43

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA3968852

Name:
(3S)-3-[[(2S)-2-[[2-(1-adamantylamino)-2-oxo-acetyl]amino]propanoyl]amino]-Show More⌵

Mol. Formula:
C27H31Cl2N3O8

M.W.:
596.46

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
167.97

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3966591

Name:
(S)-3-((S)-2-(2-(naphthalen-1-ylmethylamino)-2-oxoacetamido)propanamido)-4-Show More⌵

Mol. Formula:
C27H23F4N3O7

M.W.:
577.49

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
150.90

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3961549

Name:
(S)-5-(2,6-dichlorobenzoyloxy)-3-((S)-2-(2-(naphthalen-1-ylmethylamino)-2-oShow More⌵

Mol. Formula:
C28H25Cl2N3O8

M.W.:
602.43

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.65

Polar Surface Area:
167.97

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3960740

Name:
(S)-5-(diphenylphosphoryloxy)-4-oxo-3-((S)-2-(2-oxo-2-(2-(pyrrolidin-1-yl)-Show More⌵

Mol. Formula:
C33H34F3N4O8P

M.W.:
702.62

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.22

Polar Surface Area:
171.21

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3954160

Name:
(S)-3-((S)-2-(2-(1H-benzo[d]imidazol-2-ylamino)-2-oxoacetamido)-3-methylbutShow More⌵

Mol. Formula:
C25H23F4N5O7

M.W.:
581.48

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.81

Polar Surface Area:
179.58

HBA:
7

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3951248

Name:
(S)-3-((S)-3-methyl-2-(2-(naphthalen-1-ylamino)-2-oxoacetamido)butanamido)-Show More⌵

Mol. Formula:
C28H29N3O9

M.W.:
551.55

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.79

Polar Surface Area:
181.11

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3950285

Name:
(S)-3-((S)-3-methyl-2-(2-oxo-2-(perfluoropyridin-4-ylamino)acetamido)butanaShow More⌵

Mol. Formula:
C23H18F8N4O7

M.W.:
614.40

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.88

Polar Surface Area:
163.79

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3947447

Name:
(S)-4-oxo-3-((S)-2-(2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamiShow More⌵

Mol. Formula:
C26H25F4N3O7

M.W.:
567.49

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
150.90

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA3945053

Name:
(S)-3-((S)-2-(2-(2-tert-butylphenylamino)-2-oxoacetamido)propanamido)-5-(2-Show More⌵

Mol. Formula:
C26H30FN3O7

M.W.:
515.54

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
150.90

HBA:
6

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3944828

Name:
(S)-5-(2,6-dichlorobenzoyloxy)-4-oxo-3-((S)-2-(2-oxo-2-(5,6,7,8-tetrahydronShow More⌵

Mol. Formula:
C27H27Cl2N3O8

M.W.:
592.43

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.70

Polar Surface Area:
167.97

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3934331

Name:
(3RS)-3-[N-(N'-(1-Naphthyl)Oxamyl)Valinyl]Amino-5-Fluoro-4-OxopentanoicAcid

Mol. Formula:
C22H24FN3O6

M.W.:
445.45

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.42

Polar Surface Area:
141.67

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3930460

Name:
(S)-5-(diphenylphosphoryloxy)-3-((S)-2-(2-(2-morpholino-5-(trifluoromethyl)Show More⌵

Mol. Formula:
C33H34F3N4O9P

M.W.:
718.62

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.46

Polar Surface Area:
180.44

HBA:
9

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3928643

Name:
(S)-3-((S)-2-(2-(benzylamino)-2-oxoacetamido)propanamido)-5-(2,6-dichlorobeShow More⌵

Mol. Formula:
C24H23Cl2N3O8

M.W.:
552.37

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
1.50

Polar Surface Area:
167.97

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA3927125

Name:
(3S)-3-[[(2S)-2-[[2-(1-adamantylamino)-2-oxo-acetyl]amino]propanoyl]amino]-Show More⌵

Mol. Formula:
C32H38N3O8P

M.W.:
623.64

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.05

Polar Surface Area:
167.97

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3926784

Name:
(S)-5-(diphenylphosphoryloxy)-3-((S)-2-(2-(naphthalen-1-ylmethylamino)-2-oxShow More⌵

Mol. Formula:
C33H32N3O8P

M.W.:
629.61

8 activity values

4 unique targets

Type:
Small molecule

AlogP:
2.44

Polar Surface Area:
167.97

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.13

DETAILS