Compounds

ALA499942

Name:
((2R)-2,6-bis(2-(1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-ylShow More⌵

Mol. Formula:
C49H63F2N9O17P2

M.W.:
1150.03

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA446554

Name:
S-(1,1-Bisphosphonomethylcarbamoyl)methyl 1-cyclopropyl-6-fluoro-1,4-dihydrShow More⌵

Mol. Formula:
C24H31FN4O10P2S

M.W.:
648.54

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.30

Polar Surface Area:
207.73

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA521963

Name:
(N-Methyl-1,1-bisphosphonomethylcarbamoyl)methyl 7-(3-methylpiperazin-1-yl)Show More⌵

Mol. Formula:
C23H31FN4O11P2

M.W.:
620.46

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.54

Polar Surface Area:
208.17

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA500872

Name:
(N-Methyl-1,1-bisphosphonomethylcarbamoyl)methyl 1-cyclopropyl-6-fluoro-1,4Show More⌵

Mol. Formula:
C25H33FN4O11P2

M.W.:
646.50

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.93

Polar Surface Area:
208.17

HBA:
10

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA461371

Name:
(4-(2,2-Bisphosphonoethyl)phenylcarbamoyl)methyl 7-(3-methylpiperazin-1-yl)Show More⌵

Mol. Formula:
C29H35FN4O11P2

M.W.:
696.56

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.30

Polar Surface Area:
216.96

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA443667

Name:
(4-(2,2-Bisphosphonoethyl)phenylcarbamoyl)methyl 1-cyclopropyl-6-fluoro-1,4Show More⌵

Mol. Formula:
C31H37FN4O11P2

M.W.:
722.60

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.69

Polar Surface Area:
216.96

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA491465

Name:
(1,1-Bisphosphonomethylcarbamoyl)methyl 1-cyclopropyl-6-fluoro-1,4-dihydro-Show More⌵

Mol. Formula:
C21H27FN4O11P2

M.W.:
592.41

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
-0.19

Polar Surface Area:
216.96

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA524138

Name:
(1,1-Bisphosphonomethylcarbamoyl)methyl 7-(3-methylpiperazin-1-yl)-1-cyclopShow More⌵

Mol. Formula:
C22H29FN4O11P2

M.W.:
606.44

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.19

Polar Surface Area:
216.96

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA510983

Name:
(1,1-Bisphosphonomethylcarbamoyl)methyl 1-cyclopropyl-6-fluoro-1,4-dihydro-Show More⌵

Mol. Formula:
C24H31FN4O11P2

M.W.:
632.48

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.58

Polar Surface Area:
216.96

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA452689

Name:
4-(Bisphosphonomethyl)phenyl 7-(3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluShow More⌵

Mol. Formula:
C26H30FN3O10P2

M.W.:
625.48

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.86

Polar Surface Area:
187.86

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA491270

Name:
S-4,4-Bisphosphonobutyl 7-(3-methylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-1Show More⌵

Mol. Formula:
C23H32FN3O9P2S

M.W.:
607.53

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.62

Polar Surface Area:
178.63

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA506096

Name:
S-4,4-Bisphosphonobutyl 7-((4aS,7aS)-octahydropyrrolo[3,4-b]pyridin-6-yl)-1Show More⌵

Mol. Formula:
C25H34FN3O9P2S

M.W.:
633.57

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.01

Polar Surface Area:
178.63

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA464394

Name:
5,5-Bisphosphonopentyl 7-((4aS,7aS)-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-Show More⌵

Mol. Formula:
C26H36FN3O10P2

M.W.:
631.53

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.68

Polar Surface Area:
187.86

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA442860

Name:
4,4-Bisphosphonobutyl 7-((4aS,7aS)-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-cShow More⌵

Mol. Formula:
C25H34FN3O10P2

M.W.:
617.50

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.29

Polar Surface Area:
187.86

HBA:
9

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.15

DETAILS