Compounds

Type:
Unknown

AlogP:
16.74

Polar Surface Area:
86.46

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4778842

Name:
N-(5,10,15,20-Tetraphenyl-22,24-dihydro-porphin-2-
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Mol. Formula:
C46H33N5O

M.W.:
671.80

Type:
Unknown

AlogP:
10.79

Polar Surface Area:
86.46

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4792955

Name:
N-[4-(10,15,20-Triphenyl-porphyrin-5-yl)-phenyl]-a
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Mol. Formula:
C46H33N5O

M.W.:
671.80

Type:
Unknown

AlogP:
11.28

Polar Surface Area:
86.46

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4798897

Name:
Hexadecanoic acid(5,10,15,20-tetraphenyl-22,24-dih
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Mol. Formula:
C60H61N5O

M.W.:
868.18

Type:
Unknown

AlogP:
16.25

Polar Surface Area:
86.46

HBA:
3

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4076226

Name:
2-((1E,3E,5E)-5-(2-((2S,5S,8S,11S,14S)-1,2-dicarbo
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Mol. Formula:
C76H92N10O25S2

M.W.:
1609.75

3 activity values

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4075701

Name:
2-((1E,3E,5E)-5-(2-((10S,13S,16S,19S,22S,25S,28S)-
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Mol. Formula:
C77H94Br4N12O28S2

M.W.:
2019.41

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3809585

Name:
[4-(1H-benzimidazol-2-yl)-phenyl]-[6-(4-trifluorom
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Mol. Formula:
C27H22F3N7O

M.W.:
517.52

Type:
Small molecule

AlogP:
5.68

Polar Surface Area:
91.85

HBA:
7

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3809547

Name:
[4-(1H-benzimidazol-2-yl)-phenyl]-(4,6-di-morpholi
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Mol. Formula:
C24H26N8O2

M.W.:
458.53

Type:
Small molecule

AlogP:
2.83

Polar Surface Area:
104.32

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3809305

Name:
[4-(1H-benzimidazol-2-yl)-phenyl]-(4-morpholin-4-y
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Mol. Formula:
C24H26N8O

M.W.:
442.53

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
95.09

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3808767

Name:
[4-(1H-benzimidazol-2-yl)-phenyl]-[6-(4-methyl-pip
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Mol. Formula:
C25H29N9O

M.W.:
471.57

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
98.33

HBA:
9

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3809256

Name:
N-[4-(1H-benzimidazol-2-yl)-phenyl]-4-morpholin-4-
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Mol. Formula:
C26H31N9O2

M.W.:
501.60

Type:
Small molecule

AlogP:
2.74

Polar Surface Area:
116.35

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3810285

Name:
2-(4-{4-[4-(1H-benzimidazol-2-yl)-phenylamino]-2-m
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Mol. Formula:
C26H31N9O2

M.W.:
501.60

Type:
Small molecule

AlogP:
2.11

Polar Surface Area:
118.56

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3809591

Name:
N-(6-Amino-ethyl)-N'-[4-(3H-benzimidazol-5-yl)-phe
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Mol. Formula:
C22H25N9O

M.W.:
431.50

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
129.90

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3809375

Name:
2-{4-[4-(1H-Benzimidazol-2-yl)-phenylamino]-2-morp
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Mol. Formula:
C22H24N8O2

M.W.:
432.49

Type:
Small molecule

AlogP:
2.40

Polar Surface Area:
124.11

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3808601

Name:
N-[4-(1H-Benzimidazol-2-yl)-phenyl]-N'-benzyl-2-mo
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Mol. Formula:
C27H26N8O

M.W.:
478.56

Type:
Small molecule

AlogP:
4.61

Polar Surface Area:
103.88

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3809516

Name:
N-[4-(1H-benzimidazol-2-yl)-phenyl]-N'-cyclohexyl-
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Mol. Formula:
C26H30N8O

M.W.:
470.58

Type:
Small molecule

AlogP:
4.74

Polar Surface Area:
103.88

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA3809089

Name:
[4-(1H-benzimidazol-2-yl)-phenyl]-(6-hydrazino-2-m
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Mol. Formula:
C20H21N9O

M.W.:
403.45

Type:
Small molecule

AlogP:
2.28

Polar Surface Area:
129.90

HBA:
9

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3809440

Name:
[4-(1H-benzimidazol-2-yl)-phenyl]-(6-furan-2-yl-2-
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Mol. Formula:
C24H21N7O2

M.W.:
439.48

Type:
Small molecule

AlogP:
4.26

Polar Surface Area:
104.99

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA3808830

Name:
4-[(1H-Benzimidazol-2-yl)-phenyl]-(4-morpholin-4-y
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Mol. Formula:
C24H21N7OS

M.W.:
455.55

Type:
Small molecule

AlogP:
4.72

Polar Surface Area:
91.85

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5193956

Name:
N-Ethynyl-4-((4-ethynylphenoxy)methyl)-N-methylben
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Mol. Formula:
C18H15NO3S

M.W.:
325.39

1 activity values