Compounds

ALA5196662

Name:
1-Ethyl-6-fluoro-N-(2-morpholinoethyl)-4-oxo-7-(piperazin-1-yl)-1,4-dihydroShow More⌵

Mol. Formula:
C22H30FN5O3

M.W.:
431.51

1 activity values

1 unique targets

Type:
---

AlogP:
0.63

Polar Surface Area:
78.84

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5204766

Name:
1-Ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-N-(4-((2-(piperidin-1-yl)ethyl)caShow More⌵

Mol. Formula:
C30H37FN6O3

M.W.:
548.66

27 activity values

5 unique targets

Type:
---

AlogP:
3.04

Polar Surface Area:
98.71

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5204078

Name:
1-Ethyl-6-fluoro-N-(4-(isobutylcarbamoyl)phenyl)-4-oxo-7-(piperazin-1-yl)-1Show More⌵

Mol. Formula:
C27H32FN5O3

M.W.:
493.58

3 activity values

3 unique targets

Type:
---

AlogP:
3.21

Polar Surface Area:
95.47

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5203587

Name:
1-Ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-N-(4-(prop-2-yn-1-ylcarbamoyl)pheShow More⌵

Mol. Formula:
C26H26FN5O3

M.W.:
475.52

1 activity values

1 unique targets

Type:
---

AlogP:
2.19

Polar Surface Area:
95.47

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5200352

Name:
7-(4-(2-((3r,5r,7r)-adamantan-1-yl)acetyl)piperazin-1-yl)-1-ethyl-6-fluoro-Show More⌵

Mol. Formula:
C38H42FN5O4

M.W.:
651.78

1 activity values

1 unique targets

Type:
---

AlogP:
5.03

Polar Surface Area:
103.75

HBA:
6

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5192512

Name:
N-[2-[[(2S,3S,4R,5R)-3-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydrShow More⌵

Mol. Formula:
C45H73N11O18S

M.W.:
1088.21

1 activity values

1 unique targets

Type:
---

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA5189813

Name:
1-Ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-N-(4-((tetrahydro-2H-pyran-4-yl)cShow More⌵

Mol. Formula:
C28H32FN5O4

M.W.:
521.59

1 activity values

1 unique targets

Type:
---

AlogP:
2.73

Polar Surface Area:
104.70

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5185459

Name:
N-(4-((cyclopropylmethyl)carbamoyl)phenyl)-1-ethyl-6-fluoro-4-oxo-7-(piperaShow More⌵

Mol. Formula:
C27H30FN5O3

M.W.:
491.57

1 activity values

1 unique targets

Type:
---

AlogP:
2.96

Polar Surface Area:
95.47

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA5185256

Name:
7-(4-Benzylpiperazin-1-yl)-1-ethyl-6-fluoro-N-(4-fluorophenyl)-4-oxo-1,4-diShow More⌵

Mol. Formula:
C29H28F2N4O2

M.W.:
502.57

3 activity values

3 unique targets

Type:
---

AlogP:
4.87

Polar Surface Area:
57.58

HBA:
5

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5183645

Name:
N-(4-((2-(diethylamino)ethyl)carbamoyl)phenyl)-1-ethyl-6-fluoro-4-oxo-7-(piShow More⌵

Mol. Formula:
C29H37FN6O3

M.W.:
536.65

1 activity values

1 unique targets

Type:
---

AlogP:
2.89

Polar Surface Area:
98.71

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5183300

Name:
7-(4-Benzylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-N-(4-(prop-2-yn-1-yl-carbShow More⌵

Mol. Formula:
C33H32FN5O3

M.W.:
565.65

1 activity values

1 unique targets

Type:
---

AlogP:
4.10

Polar Surface Area:
86.68

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA5183086

Name:
7-(4-(cyclopropylmethyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-N-(4-(prop-2Show More⌵

Mol. Formula:
C30H32FN5O3

M.W.:
529.62

1 activity values

1 unique targets

Type:
---

AlogP:
3.31

Polar Surface Area:
86.68

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5179903

Name:
7-(4-Benzylpiperazin-1-yl)-1-ethyl-6-fluoro-3-(piperidine-1-carbonyl)quinolShow More⌵

Mol. Formula:
C28H33FN4O2

M.W.:
476.60

1 activity values

1 unique targets

Type:
---

AlogP:
4.11

Polar Surface Area:
48.79

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5178012

Name:
N-(4-(butylcarbamoyl)phenyl)-1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-Show More⌵

Mol. Formula:
C27H32FN5O3

M.W.:
493.58

1 activity values

1 unique targets

Type:
---

AlogP:
3.35

Polar Surface Area:
95.47

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA5177761

Name:
1-Ethyl-6-fluoro-N-(4-(isopropylcarbamoyl)phenyl)-4-oxo-7-(piperazin-1-yl)-Show More⌵

Mol. Formula:
C26H30FN5O3

M.W.:
479.56

3 activity values

3 unique targets

Type:
---

AlogP:
2.96

Polar Surface Area:
95.47

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5177532

Name:
N-(1-benzylpiperidin-4-yl)-1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-diShow More⌵

Mol. Formula:
C28H34FN5O2

M.W.:
491.61

1 activity values

1 unique targets

Type:
---

AlogP:
2.96

Polar Surface Area:
69.61

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5173153

Name:
7-(4-Benzylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-N-phenyl-1,4-dihydro-quinShow More⌵

Mol. Formula:
C29H29FN4O2

M.W.:
484.58

1 activity values

1 unique targets

Type:
---

AlogP:
4.74

Polar Surface Area:
57.58

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5172735

Name:
7-(4-Benzylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-N-(prop-2-yn-1-yl)-1,4-diShow More⌵

Mol. Formula:
C26H27FN4O2

M.W.:
446.53

1 activity values

1 unique targets

Type:
---

AlogP:
2.85

Polar Surface Area:
57.58

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5170643

Name:
1-Ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-N-(2-(piperidin-1-yl)ethyl)-1,4-dShow More⌵

Mol. Formula:
C23H32FN5O2

M.W.:
429.54

1 activity values

1 unique targets

Type:
---

AlogP:
1.79

Polar Surface Area:
69.61

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA4867890

Name:
2,2',2''-((3S,6S,13S,16S,19S,22S,27aS)-22-(3-amino-3-oxopropyl)-16-(4-hydroShow More⌵

Mol. Formula:
C51H80N12O14

M.W.:
1085.27

2 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS