Compounds

ALA4877757

Name:
(S)-N-(((R)-5-((S)-3-(dimethylamino)pyrrolidin-1-y
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Mol. Formula:
C26H37N5

M.W.:
419.62

8 activity values

5 unique targets

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
34.64

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4876951

Name:
(S)-N-(((R)-5-(4-(dimethylamino)piperidin-1-yl)-1,
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Mol. Formula:
C27H39N5

M.W.:
433.64

9 activity values

6 unique targets

Type:
Unknown

AlogP:
3.64

Polar Surface Area:
34.64

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4876425

Name:
(2S,5S,8S,11S,14S,17S,20S,23S,26S)-2,14-bis((1H-in
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Mol. Formula:
C63H85N13O12S

M.W.:
1248.52

2 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4875030

Name:
(S)-N-methyl-N-(((R)-5-((3aS,6aS)-1-methylhexahydr
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Mol. Formula:
C27H37N5

M.W.:
431.63

8 activity values

5 unique targets

Type:
Unknown

AlogP:
3.25

Polar Surface Area:
34.64

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4874526

Name:
(S)-N-methyl-N-(((R)-5-(piperidin-4-ylamino)-1,2,3
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Mol. Formula:
C25H35N5

M.W.:
405.59

7 activity values

5 unique targets

Type:
Unknown

AlogP:
3.27

Polar Surface Area:
52.22

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA5285076

Name:
N1,N1'-((5-amino-1,3-phenylene)bis(methylene))bis(
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Mol. Formula:
C26H47N5

M.W.:
429.70

Type:
---

AlogP:
4.07

Polar Surface Area:
74.14

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5284797

Name:
(S)-1-(3-(1,4,8,11-tetraazacyclotetradecan-2-yl)pr
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Mol. Formula:
C23H52N8

M.W.:
440.73

Type:
---

AlogP:
-0.85

Polar Surface Area:
87.45

HBA:
8

HBD:
7

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5283630

Name:
N1,N1'-((5-(methylamino)-1,3-phenylene)bis(methyle
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Mol. Formula:
C27H49N5

M.W.:
443.72

Type:
---

AlogP:
4.53

Polar Surface Area:
60.15

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA5283015

Name:
N1,N4-bis(3-(cyclohexylamino)propyl)terephthalamid
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Mol. Formula:
C26H42N4O2

M.W.:
442.65

Type:
---

AlogP:
3.77

Polar Surface Area:
82.26

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5283007

Name:
N1,N1'-(1,3-phenylenebis(methylene))bis(N3-cyclohe
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Mol. Formula:
C26H46N4

M.W.:
414.68

Type:
---

AlogP:
4.49

Polar Surface Area:
48.12

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA5282178

Name:
N1,N1'-([1,1'-biphenyl]-4,4'-diylbis(methylene))bi
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Mol. Formula:
C32H50N4

M.W.:
490.78

Type:
---

AlogP:
6.16

Polar Surface Area:
48.12

HBA:
4

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA5281510

Name:
6-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S
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Mol. Formula:
C126H209N47O29

M.W.:
2846.36

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5281447

Name:
N-(3-(ethyl(phenyl)amino)propyl)-6-(1H-imidazol-1-
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Mol. Formula:
C20H23N5O

M.W.:
349.44

Type:
---

AlogP:
2.91

Polar Surface Area:
63.05

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5280629

Name:
N,N'-(1,4-phenylenebis(methylene))dicyclohexanamin
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Mol. Formula:
C20H32N2

M.W.:
300.49

Type:
---

AlogP:
4.53

Polar Surface Area:
24.06

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.81

DETAILS

ALA5280362

Name:
6-[[(1S)-5-[[(1S)-2-[[(1S,2S)-1-[[(1S)-1-[(2S)-2-[
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Mol. Formula:
C122H206N46O33S

M.W.:
2877.35

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5280204

Name:
6-[[(1R)-5-[[(1R)-2-[[(1R,2R)-1-[[(1R)-1-[(2R)-2-[
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Mol. Formula:
C122H206N46O33S

M.W.:
2877.35

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5278507

Name:
(6S,9S,12S,15S,18S)-1-amino-6-((2-((S)-2-((2-(((S)
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Mol. Formula:
C62H108N24O14

M.W.:
1413.70

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5278283

Name:
N-(3-(cyclohexylamino)propyl)-4-(((3-(cyclohexylam
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Mol. Formula:
C26H44N4O

M.W.:
428.67

Type:
---

AlogP:
4.13

Polar Surface Area:
65.19

HBA:
4

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA5277914

Name:
N1,N1'-((2-amino-1,4-phenylene)bis(methylene))bis(
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Mol. Formula:
C26H47N5

M.W.:
429.70

Type:
---

AlogP:
4.07

Polar Surface Area:
74.14

HBA:
5

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA4867183

Name:
(2S,5S,8S,11S,14S)-2-((1H-imidazol-5-yl)methyl)-8-
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Mol. Formula:
C60H77N17O14

M.W.:
1260.38

12 activity values

5 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS