Compounds

Type:
---

AlogP:
2.70

Polar Surface Area:
56.26

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5205660

Name:
8-fluoro-3-iodoquinoline-5-sulfonic acid

Mol. Formula:
C9H5FINO3S

M.W.:
353.11

Type:
---

AlogP:
2.23

Polar Surface Area:
67.26

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5205573

Name:
3-aminophenyl 8-fluoro-3-iodoquinoline-5-sulfonate

Mol. Formula:
C15H10FIN2O3S

M.W.:
444.23

Type:
---

AlogP:
3.33

Polar Surface Area:
82.28

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5203367

Name:
8-fluoro-3-iodo-N-phenethylquinoline-5-sulfonamide

Mol. Formula:
C17H14FIN2O2S

M.W.:
456.28

Type:
---

AlogP:
3.50

Polar Surface Area:
59.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5199439

Name:
8-fluoro-3-iodoquinoline-5-sulfonamide

Mol. Formula:
C9H6FIN2O2S

M.W.:
352.13

Type:
---

AlogP:
1.63

Polar Surface Area:
73.05

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.79

DETAILS

ALA5198851

Name:
8-Fluoro-3-iodo-5-(pyrrolidin-1-ylsulfonyl)quinoline

Mol. Formula:
C13H12FIN2O2S

M.W.:
406.22

Type:
---

AlogP:
2.76

Polar Surface Area:
50.27

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA5198202

Name:
Methyl 8-fluoro-3-iodoquinoline-5-sulfonate

Mol. Formula:
C10H7FINO3S

M.W.:
367.14

Type:
---

AlogP:
2.31

Polar Surface Area:
56.26

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5196825

Name:
Pentyl 8-fluoro-3-iodoquinoline-5-sulfonate

Mol. Formula:
C14H15FINO3S

M.W.:
423.25

Type:
---

AlogP:
3.87

Polar Surface Area:
56.26

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5195222

Name:
N-benzyl-8-fluoro-3-iodoquinoline-5-sulfonamide

Mol. Formula:
C16H12FIN2O2S

M.W.:
442.25

Type:
---

AlogP:
3.46

Polar Surface Area:
59.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5194069

Name:
Isopropyl 8-fluoro-3-iodoquinoline-5-sulfonate

Mol. Formula:
C12H11FINO3S

M.W.:
395.19

Type:
---

AlogP:
3.09

Polar Surface Area:
56.26

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5193408

Name:
8-Fluoro-3-iodo-N-(5-methylisoxazol-4-yl)quinoline-5-sulfonamide

Mol. Formula:
C13H9FIN3O3S

M.W.:
433.20

Type:
---

AlogP:
3.08

Polar Surface Area:
85.09

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA5186458

Name:
8-fluoro-N-(3-hydroxyphenyl)-3-iodoquinoline-5-sulfonamide

Mol. Formula:
C15H10FIN2O3S

M.W.:
444.23

Type:
---

AlogP:
3.48

Polar Surface Area:
79.29

HBA:
4

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.61

DETAILS

ALA5183202

Name:
N-cyclohexyl-8-fluoro-3-iodoquinoline-5-sulfonamide

Mol. Formula:
C15H16FIN2O2S

M.W.:
434.27

Type:
---

AlogP:
3.59

Polar Surface Area:
59.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5177215

Name:
8-Fluoro-3-iodo-N-phenylquinoline-5-sulfonamide

Mol. Formula:
C15H10FIN2O2S

M.W.:
428.23

Type:
---

AlogP:
3.78

Polar Surface Area:
59.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA5173988

Name:
8-fluoro-3-iodo-N-methylquinoline-5-sulfonamide

Mol. Formula:
C10H8FIN2O2S

M.W.:
366.15

Type:
---

AlogP:
1.89

Polar Surface Area:
59.06

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5170671

Name:
8-fluoro-3-iodo-N-(3-methoxyphenyl)quinoline-5-sulfonamide

Mol. Formula:
C16H12FIN2O3S

M.W.:
458.25

Type:
---

AlogP:
3.79

Polar Surface Area:
68.29

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5169988

Name:
8-fluoro-3-iodo-N-(2-morpholinoethyl)quinoline-5-sulfonamide

Mol. Formula:
C15H17FIN3O3S

M.W.:
465.29

Type:
---

AlogP:
1.59

Polar Surface Area:
71.53

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4872110

Name:
(R)-2-hydroxy-4-methylenepentanedioic acid

Mol. Formula:
C6H8O5

M.W.:
160.12

Type:
Unknown

AlogP:
-0.54

Polar Surface Area:
94.83

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4870693

Name:
2-hydroxypentanedioic acid

Mol. Formula:
C5H8O5

M.W.:
148.11

Type:
Unknown

AlogP:
-0.70

Polar Surface Area:
94.83

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4860506

Name:
(S)-2-hydroxy-4-methylenepentanedioic acid

Mol. Formula:
C6H8O5

M.W.:
160.12