Compounds

Type:
---

AlogP:
3.63

Polar Surface Area:
95.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5208322

Name:
4-[[4-fluoro-3-[2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyriShow More⌵

Mol. Formula:
C28H28FN7O2

M.W.:
513.58

Type:
---

AlogP:
2.39

Polar Surface Area:
98.32

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5207861

Name:
4-[[3-[2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-cShow More⌵

Mol. Formula:
C29H30FN7O2

M.W.:
527.60

Type:
---

AlogP:
2.78

Polar Surface Area:
98.32

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA5205788

Name:
4-[[3-[2-[2-(dimethylamino)ethyl-methyl-amino]-7,8-dihydro-5H-pyrido[4,3-d]Show More⌵

Mol. Formula:
C28H30FN7O2

M.W.:
515.59

Type:
---

AlogP:
2.64

Polar Surface Area:
98.32

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA5198673

Name:
4-[[3-(2-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)-4-fluoroShow More⌵

Mol. Formula:
C23H17ClFN5O2

M.W.:
449.87

6 activity values

Type:
---

AlogP:
3.29

Polar Surface Area:
91.84

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA5188280

Name:
4-[[3-[2-(diethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-Show More⌵

Mol. Formula:
C27H27FN6O2

M.W.:
486.55

Type:
---

AlogP:
3.49

Polar Surface Area:
95.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA5186702

Name:
4-[[4-fluoro-3-(2-morpholino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboShow More⌵

Mol. Formula:
C27H25FN6O3

M.W.:
500.53

14 activity values

Type:
---

AlogP:
2.48

Polar Surface Area:
104.31

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5184122

Name:
4-[[3-[2-(dibutylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-Show More⌵

Mol. Formula:
C31H35FN6O2

M.W.:
542.66

Type:
---

AlogP:
5.05

Polar Surface Area:
95.08

HBA:
6

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA5177603

Name:
4-[[3-[2-(dipropylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]Show More⌵

Mol. Formula:
C29H31FN6O2

M.W.:
514.61

Type:
---

AlogP:
4.27

Polar Surface Area:
95.08

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.38

DETAILS

ALA5175103

Name:
4-[[4-fluoro-3-(2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-Show More⌵

Mol. Formula:
C27H25FN6O2

M.W.:
484.54

Type:
---

AlogP:
3.24

Polar Surface Area:
95.08

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA4648701

Name:
4-[[3-[3,5-bis[(4-chlorophenyl)methylene]-4-oxo-piperidine-1-carbonyl]-4-flShow More⌵

Mol. Formula:
C35H24Cl2FN3O3

M.W.:
624.50

6 activity values

Type:
Unknown

AlogP:
7.15

Polar Surface Area:
83.13

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA4648686

Name:
4-[[4-fluoro-3-[4-oxo-3,5-bis(2-pyridylmethylene)piperidine-1-carbonyl]phenShow More⌵

Mol. Formula:
C33H24FN5O3

M.W.:
557.59

12 activity values

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
108.91

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4641362

Name:
4-[[4-fluoro-3-[4-oxo-3,5-bis(4-pyridylmethylene)piperidine-1-carbonyl]phenShow More⌵

Mol. Formula:
C33H24FN5O3

M.W.:
557.59

22 activity values

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
108.91

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4638519

Name:
4-[[4-fluoro-3-[4-oxo-3,5-bis(3-pyridylmethylene)piperidine-1-carbonyl]phenShow More⌵

Mol. Formula:
C33H24FN5O3

M.W.:
557.59

12 activity values

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
108.91

HBA:
6

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA4637015

Name:
4-[[3-[3,5-bis[(3-fluorophenyl)methylene]-4-oxo-piperidine-1-carbonyl]-4-flShow More⌵

Mol. Formula:
C35H24F3N3O3

M.W.:
591.59

6 activity values

Type:
Unknown

AlogP:
6.12

Polar Surface Area:
83.13

HBA:
4

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA4558916

Name:
2-trimethylsilylethyl (2R)-2-[(2R,5S,6R)-6-[(1S,2S,3S,5R)-5-[(3S,5S,7R,9S,1Show More⌵

Mol. Formula:
C47H82O11Si

M.W.:
851.25

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3402428

Name:
(1'S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-3'-(phenylsulfonyl)-3H-spiro[benShow More⌵

Mol. Formula:
C22H19ClO7S

M.W.:
462.91

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
95.97

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA3402427

Name:
(1'S,6'R)-3'-(benzylsulfonyl)-7-chloro-4,6-dimethoxy-6'-methyl-3H-spiro[benShow More⌵

Mol. Formula:
C23H21ClO7S

M.W.:
476.93

Type:
Small molecule

AlogP:
3.78

Polar Surface Area:
95.97

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA3402426

Name:
(1'S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-3'-(phenylsulfinyl)-3H-spiro[benShow More⌵

Mol. Formula:
C22H19ClO6S

M.W.:
446.91

Type:
Small molecule

AlogP:
3.97

Polar Surface Area:
84.89

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA3402425

Name:
(1'S,6'R)-3'-(benzylsulfinyl)-7-chloro-4,6-dimethoxy-6'-methyl-3H-spiro[benShow More⌵

Mol. Formula:
C23H21ClO6S

M.W.:
460.94