Compounds

Type:
Unknown

AlogP:
4.71

Polar Surface Area:
66.06

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4474391

Name:
1-(2,4,5-trichlorobenzyl)-15,3,5,7-tetraazatricycl
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Mol. Formula:
C13H16Cl3N4+

M.W.:
334.66

27 activity values

13 unique targets

Type:
Unknown

AlogP:
2.66

Polar Surface Area:
9.72

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA4525662

Name:
10-(4-((1-(2,2-dimethyl-4,5-dioxo-2,3,4,5-tetrahyd
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Mol. Formula:
C34H28BF2N5O4

M.W.:
619.44

18 activity values

18 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4532532

Name:
1-tert-butyl-5-formyl-1H-pyrrolo[2,3-b]pyridine-3-
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Cas Number:
1221723-77-8

Mol. Formula:
C13H13N3O

M.W.:
227.27

Type:
Unknown

AlogP:
2.48

Polar Surface Area:
58.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4554525

Name:
1-cyclohexyl-5-oxo-4-propyl-1,5,6,7-tetrahydrocycl
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Mol. Formula:
C20H23N3O

M.W.:
321.42

Type:
Unknown

AlogP:
4.49

Polar Surface Area:
58.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4553869

Name:
(E)-((5-hydroxy-4-methylpent-3-enyl)(naphthalen-1-
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Mol. Formula:
C22H29O6P

M.W.:
420.44

1 activity values

Type:
Unknown

AlogP:
5.30

Polar Surface Area:
82.06

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4566794

Name:
1-allyl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarbonitri
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Mol. Formula:
C12H8N4

M.W.:
208.22

Type:
Unknown

AlogP:
1.97

Polar Surface Area:
65.40

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4529463

Name:
1-benzyl-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetra
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Mol. Formula:
C27H23N3O

M.W.:
405.50

17 activity values

Type:
Unknown

AlogP:
5.78

Polar Surface Area:
58.68

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA4581892

Name:
NA

Mol. Formula:
C78H106N18O20S2

M.W.:
1679.95

10 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4579711

Name:
1-{4-[3-Fluoro-4-((3S,6R)-3-methyl-1,1-dioxo-6-phe
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Mol. Formula:
C24H30FN3O3S

M.W.:
459.59

13 activity values

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
60.93

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4459763

Name:
1-benzyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1H-
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Mol. Formula:
C21H19N3O

M.W.:
329.40

Type:
Unknown

AlogP:
4.11

Polar Surface Area:
58.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4459344

Name:
2-(1,4-dioxo-1,4-dihydronaphthalen-2-ylamino)aceti
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Cas Number:
57413-99-7

Mol. Formula:
C12H9NO4

M.W.:
231.21

2 activity values

2 unique targets

Type:
Unknown

AlogP:
0.62

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.80

DETAILS

ALA4098610

Name:
(S)-2-((S)-4-((S)-2-((S)-1-((S)-1-((S)-2-((S)-2-((
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Mol. Formula:
C59H91N9O10

M.W.:
1086.43

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4097439

Name:
1-ethyl-3-(6-methylphenanthridin-8-yl)urea

Cas Number:
1051933-86-8

Mol. Formula:
C17H17N3O

M.W.:
279.34

28 activity values

9 unique targets

Type:
Small molecule

AlogP:
3.84

Polar Surface Area:
54.02

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA4096431

Name:
(6S,9S,12S,15S,18S,23R,26S,28aS,33aS)-23,26-dibenz
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Mol. Formula:
C59H89N9O9

M.W.:
1068.41

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4104160

Name:
(6S,9S,12S,15S,18S,21S,26S,28aS,33aS)-21,26-dibenz
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Mol. Formula:
C59H89N9O9

M.W.:
1068.41

4 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4100295

Name:
N-((S)-3-hydroxy-1-((S)-1-((R)-2-methyloxiran-2-yl
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Cas Number:
1629052-78-3

Mol. Formula:
C21H23N3O6

M.W.:
413.43

49 activity values

14 unique targets

Type:
Small molecule

AlogP:
-0.45

Polar Surface Area:
140.89

HBA:
6

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4469689

Name:
(S)-2-(1,4-dioxo-1,4-dihydronaphthalen-2-ylamino)-
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Mol. Formula:
C19H15NO4

M.W.:
321.33

2 activity values

2 unique targets

Type:
Unknown

AlogP:
2.24

Polar Surface Area:
83.47

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4094274

Name:
(S)-2-((S)-2-((R)-4-((S)-1-((S)-1-((S)-2-((S)-2-((
Show More⌵

Mol. Formula:
C59H91N9O10

M.W.:
1086.43

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4090887

Name:
(S)-2-((S)-4-((S)-4-((S)-1-((S)-1-((S)-2-((S)-2-((
Show More⌵

Mol. Formula:
C61H95N9O10

M.W.:
1114.48