Compounds

Type:
Unknown

AlogP:
1.95

Polar Surface Area:
166.00

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4538679

Name:
(((2-(3-((4-Methoxyphenyl)carbamoyl)phenyl)thieno[
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Mol. Formula:
C21H20N4O8P2S

M.W.:
550.43

12 activity values

10 unique targets

Type:
Unknown

AlogP:
3.67

Polar Surface Area:
191.20

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4764230

Name:
disodium mono(1-hydroxy-2-(1H-1,2,3-triazol-1-yl)e
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Mol. Formula:
C4H7N3Na2O7P2

M.W.:
317.04

Type:
Unknown

AlogP:
-1.72

Polar Surface Area:
166.00

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4763150

Name:
disodium mono(1-hydroxy-2-(5-octyl-1H-1,2,3-triazo
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Mol. Formula:
C12H23N3Na2O7P2

M.W.:
429.26

Type:
Unknown

AlogP:
1.18

Polar Surface Area:
166.00

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4762902

Name:
Disodium (1-[bis(sodiooxy)phosphoryl]-3-[(4E)-5,9-
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Mol. Formula:
C15H25NNa4O7P2

M.W.:
485.27

7 activity values

Type:
Unknown

AlogP:
2.65

Polar Surface Area:
144.16

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA4759010

Name:
sodium (E)-2-(4-(4,8-dimethylnona-3,7-dienyl)-1H-1
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Mol. Formula:
C15H23N3Na4O7P2

M.W.:
511.27

2 activity values

Type:
Unknown

AlogP:
1.90

Polar Surface Area:
166.00

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA4756107

Name:
disodium mono(1-hydroxy-2-(4-phenyl-1H-1,2,3-triaz
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Mol. Formula:
C10H11N3Na2O7P2

M.W.:
393.14

Type:
Unknown

AlogP:
-0.05

Polar Surface Area:
166.00

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4577077

Name:
(((2-(3-((3-Fluoro-4-methoxyphenyl)carbamoyl)pheny
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Mol. Formula:
C21H19FN4O8P2S

M.W.:
568.42

83 activity values

11 unique targets

Type:
Unknown

AlogP:
3.81

Polar Surface Area:
191.20

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA4780650

Name:
Disodium (1-[bis(sodiooxy)phosphoryl]-3-(5-methylh
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Mol. Formula:
C10H17NNa4O7P2

M.W.:
417.15

5 activity values

Type:
Unknown

AlogP:
0.92

Polar Surface Area:
144.16

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4778936

Name:
disodium mono(2-(5-butyl-1H-1,2,3-triazol-1-yl)-1-
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Mol. Formula:
C8H15N3Na2O7P2

M.W.:
373.15

Type:
Unknown

AlogP:
-0.38

Polar Surface Area:
166.00

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4778197

Name:
Disodium (1-[bis(sodiooxy)phosphoryl]-3-[(2Z)-3,7-
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Mol. Formula:
C13H21NNa4O7P2

M.W.:
457.22

6 activity values

Type:
Unknown

AlogP:
1.87

Polar Surface Area:
144.16

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4783284

Name:
disodium mono(1-hydroxy-2-(5-phenyl-1H-1,2,3-triaz
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Mol. Formula:
C10H11N3Na2O7P2

M.W.:
393.14

Type:
Unknown

AlogP:
-0.05

Polar Surface Area:
166.00

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA4782022

Name:
Disodium (1-[bis(sodiooxy)phosphoryl]-3-[(3S)-3,7-
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Mol. Formula:
C13H23NNa4O7P2

M.W.:
459.24

7 activity values

Type:
Unknown

AlogP:
1.95

Polar Surface Area:
144.16

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4752134

Name:
disodium mono(2-(4-butyl-1H-1,2,3-triazol-1-yl)-1-
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Mol. Formula:
C8H15N3Na2O7P2

M.W.:
373.15

Type:
Unknown

AlogP:
-0.38

Polar Surface Area:
166.00

HBA:
6

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA4751412

Name:
Disodium (1-[bis(sodiooxy)phosphoryl]-3-[3,7-dimet
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Mol. Formula:
C13H21NNa4O7P2

M.W.:
457.22

12 activity values

Type:
Unknown

AlogP:
1.87

Polar Surface Area:
144.16

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA4788743

Name:
Disodium (1-[bis(sodiooxy)phosphoryl]-3-[(3R)-3,7-
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Mol. Formula:
C13H23NNa4O7P2

M.W.:
459.24

7 activity values

Type:
Unknown

AlogP:
1.95

Polar Surface Area:
144.16

HBA:
3

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA4856822

Name:
sodium (E)-2-(1-(3,7-dimethylocta-2,6-dienyl)-1H-1
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Mol. Formula:
C14H19N3Na4O6P2

M.W.:
479.23

4 activity values

Type:
Unknown

AlogP:
2.62

Polar Surface Area:
145.77

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4877993

Name:
(2-(1-(3,7-Dimethyl-octa-2,6-dieny1)-1H-[1,2,3]tri
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Mol. Formula:
C14H20FN3Na4O6P2

M.W.:
499.24

5 activity values

Type:
Unknown

AlogP:
2.49

Polar Surface Area:
145.77

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA4876427

Name:
sodium (E)-1-(1-(3,7-dimethylocta-2,6-dienyl)-1H-1
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Mol. Formula:
C16H25N3Na4O6P2

M.W.:
509.30

2 activity values

Type:
Unknown

AlogP:
2.98

Polar Surface Area:
145.77

HBA:
5

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4874626

Name:
disodium mono((E)-2-(1-(3,7-dimethylocta-2,6-dieny
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Mol. Formula:
C15H23N3Na2O6P2

M.W.:
449.29

4 activity values