Compounds

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5201435

Name:
N'-[(1S,2S)-1-(acetonylcarbamoyl)-2-methyl-butyl]-N-[(1S)-1-[[(1R)-1-[[(1R)Show More⌵

Mol. Formula:
C56H96N22O10

M.W.:
1237.53

13 activity values

8 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5200438

Name:
N-[(1S)-1-[[(1R)-1-[[(1R)-1-[[(1R)-1-carbamoyl-5-[6-[1,1-dimethyl-2-[(1E,3EShow More⌵

Mol. Formula:
C102H148FN26O12+

M.W.:
1949.47

2 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5189362

Name:
N'-[(1S,2S)-1-(acetonylcarbamoyl)-2-methyl-butyl]-N-[(1S)-1-[[(1R)-1-carbamShow More⌵

Mol. Formula:
C50H84N18O9

M.W.:
1081.34

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5188777

Name:
N'-[(1S,2S)-1-(acetonylcarbamoyl)-2-methyl-butyl]-N-[(1S)-1-[[(1R)-1-[[(1R)Show More⌵

Mol. Formula:
C62H108N26O11

M.W.:
1393.72

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5185265

Name:

Mol. Formula:
C84H125N33O15Se

M.W.:
1916.10

1 activity values

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5179913

Name:
N'-[(1S,2S)-1-(acetonylcarbamoyl)-2-methyl-butyl]-N-[(1S)-1-carbamoyl-5-[[(Show More⌵

Mol. Formula:
C44H72N14O8

M.W.:
925.15

Type:
---

AlogP:
0.36

Polar Surface Area:
332.68

HBA:
12

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
31

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5179794

Name:
N-[(1S)-1-[[(1R)-1-[[(1R)-1-carbamoyl-4-guanidino-butyl]carbamoyl]-4-guanidShow More⌵

Mol. Formula:
C56H95FN22O10

M.W.:
1255.52

14 activity values

2 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5176369

Name:
[9-[4-[[(5R)-6-amino-5-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[4-[[(1S,2S)-1-[(3-fluorShow More⌵

Mol. Formula:
C87H128FN26O15+

M.W.:
1797.15

16 activity values

6 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5174535

Name:
N-[(1S)-1-[[(1R)-1-carbamoyl-4-guanidino-butyl]carbamoyl]-5-[[(2R)-5-guanidShow More⌵

Mol. Formula:
C50H83FN18O9

M.W.:
1099.33

10 activity values

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5174274

Name:
N-[(1R)-1-[[6-[[(1R)-1-carbamoyl-4-guanidino-butyl]amino]-6-oxo-hexyl]carbaShow More⌵

Mol. Formula:
C37H63N15O5

M.W.:
798.01

3 activity values

Type:
---

AlogP:
0.00

Polar Surface Area:
319.31

HBA:
10

HBD:
11

#RO5 Violations:
2

#Rotatable Bonds:
27

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA5172486

Name:
N-[(1S)-1-carbamoyl-5-[[(2R)-5-guanidino-2-[[9-oxo-9-[4-(7H-pyrrolo[2,3-d]pShow More⌵

Mol. Formula:
C44H71FN14O8

M.W.:
943.14

7 activity values

Type:
---

AlogP:
0.31

Polar Surface Area:
332.68

HBA:
12

HBD:
10

#RO5 Violations:
3

#Rotatable Bonds:
32

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4800620

Name:
2-(2-chlorophenyl)-3-(isopropylamino)-1-(4-(7-methyl-5,6,7,8-tetrahydropyriShow More⌵

Mol. Formula:
C26H33ClN6OS

M.W.:
513.11

Type:
Unknown

AlogP:
3.76

Polar Surface Area:
64.60

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA4797537

Name:
2-(4-fluorophenyl)-3-(isopropylamino)-1-(4-(7-methyl-5,6,7,8-tetrahydropyriShow More⌵

Mol. Formula:
C26H33FN6OS

M.W.:
496.66

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
64.60

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4793499

Name:
2-(4-chlorophenyl)-1-(4-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidShow More⌵

Mol. Formula:
C24H28ClN5OS

M.W.:
470.04

11 activity values

8 unique targets

Type:
Unknown

AlogP:
3.88

Polar Surface Area:
61.36

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4788316

Name:
1-(4-(7-benzyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-Show More⌵

Mol. Formula:
C32H37ClN6OS

M.W.:
589.21

Type:
Unknown

AlogP:
5.33

Polar Surface Area:
64.60

HBA:
7

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA4787253

Name:
2-(4-chlorophenyl)-3-(ethylamino)-1-(4-(7-methyl-5,6,7,8-tetrahydropyrido[4Show More⌵

Mol. Formula:
C25H31ClN6OS

M.W.:
499.08

Type:
Unknown

AlogP:
3.37

Polar Surface Area:
64.60

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA4787195

Name:
1-(4-bromophenyl)-1-(4-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidiShow More⌵

Mol. Formula:
C25H30BrN5OS

M.W.:
528.52

11 activity values

8 unique targets

Type:
Unknown

AlogP:
4.37

Polar Surface Area:
61.36

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA4785199

Name:
2-(4-chlorophenyl)-1-(4-(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidShow More⌵

Mol. Formula:
C25H30ClN5OS

M.W.:
484.07

Type:
Unknown

AlogP:
4.26

Polar Surface Area:
61.36

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.57

DETAILS

ALA4783415

Name:
2-(4-chlorophenyl)-1-(4-(7-cyclopropyl-5,6,7,8-tetrahydropyrido[4',3':4,5]tShow More⌵

Mol. Formula:
C28H35ClN6OS

M.W.:
539.15