Compounds

ALA5281740

Name:
6-acetyl-7-methyl-N-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

Mol. Formula:
C16H14N4O2

M.W.:
294.31

Type:
---

AlogP:
2.49

Polar Surface Area:
76.36

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5277741

Name:
N-phenyl-7-(pyridin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Mol. Formula:
C18H13N5O

M.W.:
315.34

Type:
---

AlogP:
3.04

Polar Surface Area:
72.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5272239

Name:
N-phenyl-5-(pyridin-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Mol. Formula:
C18H13N5O

M.W.:
315.34

Type:
---

AlogP:
3.04

Polar Surface Area:
72.18

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA5282985

Name:
N-(7-methyl-2,5-dioxo-2H,5H-pyrano[3,2-c]chromen-3-yl)benzamide

Mol. Formula:
C15H12O4

M.W.:
256.26

Type:
---

AlogP:
2.77

Polar Surface Area:
60.42

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA5199063

Name:
6,6-Dimethyl-1-((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)-5,6-dihydro-4H-imidaShow More⌵

Mol. Formula:
C17H24N2O5

M.W.:
336.39

10 activity values

3 unique targets

Type:
---

AlogP:
-0.44

Polar Surface Area:
107.85

HBA:
7

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5198474

Name:
1-(((2R,3S,4R,5R)-3,4-dihydroxy-5-methoxytetrahydrofuran-2-yl)methyl)-6,6-dShow More⌵

Mol. Formula:
C18H24N2O5

M.W.:
348.40

10 activity values

3 unique targets

Type:
---

AlogP:
0.58

Polar Surface Area:
85.85

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.85

DETAILS

ALA5198464

Name:
6,6-Dimethyl-1-((1-((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)-1H-1,2,3-triazolShow More⌵

Mol. Formula:
C20H27N5O5

M.W.:
417.47

1 activity values

1 unique targets

Type:
---

AlogP:
-0.80

Polar Surface Area:
138.56

HBA:
10

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA5197553

Name:
1-(2,3-dihydroxypropyl)-7,7,8,9-tetramethyl-6,7-dihydro-1H,5H-pyrido[1,2,3-Show More⌵

Mol. Formula:
C18H24N2O4

M.W.:
332.40

1 activity values

1 unique targets

Type:
---

AlogP:
0.81

Polar Surface Area:
84.46

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA5197438

Name:
7,7-Dimethyl-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinazoline-1,3(2H)-dione

Mol. Formula:
C13H14N2O2

M.W.:
230.27

1 activity values

1 unique targets

Type:
---

AlogP:
1.37

Polar Surface Area:
54.86

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.74

DETAILS

ALA5197162

Name:
7,7-Dimethyl-2-(((2S,3R,4R)-2,3,4,5-tetrahydroxypentyl)oxy)-6,7-dihydro-3H,Show More⌵

Mol. Formula:
C18H24N2O6

M.W.:
364.40

1 activity values

1 unique targets

Type:
---

AlogP:
-0.47

Polar Surface Area:
125.04

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA5197013

Name:
1-(2-cyclohexylethyl)-6,7-dimethyl-4-((2S,3S,4R)-2,3,4,5-tetrahydroxypentylShow More⌵

Mol. Formula:
C23H34N2O6

M.W.:
434.53

1 activity values

1 unique targets

Type:
---

AlogP:
0.83

Polar Surface Area:
124.92

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA5206061

Name:
Ethyl 2-(4-((7,7-dimethyl-1,3-dioxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinaShow More⌵

Mol. Formula:
C20H23N5O4

M.W.:
397.44

1 activity values

1 unique targets

Type:
---

AlogP:
1.05

Polar Surface Area:
101.01

HBA:
9

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA5205918

Name:
7,7-dimethyl-2-(prop-2-yn-1-yl)-6,7-dihydropyrido[3,2,1-ij]quinazoline-1,3(Show More⌵

Mol. Formula:
C16H16N2O2

M.W.:
268.32

1 activity values

1 unique targets

Type:
---

AlogP:
1.48

Polar Surface Area:
44.00

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5204924

Name:
1-((1-((2R,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1Show More⌵

Mol. Formula:
C21H25N5O6

M.W.:
443.46

1 activity values

1 unique targets

Type:
---

AlogP:
-0.90

Polar Surface Area:
144.63

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA5204110

Name:
1-Ethyl-6,7-dimethyl-4-((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)-1,4-dihydroqShow More⌵

Mol. Formula:
C17H24N2O6

M.W.:
352.39

1 activity values

1 unique targets

Type:
---

AlogP:
-1.13

Polar Surface Area:
124.92

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5202983

Name:
6,6-Dimethyl-1-((2S,3S)-2,3,4-trihydroxybutyl)-5,6-dihydro-4H-imidazo[4,5,1Show More⌵

Mol. Formula:
C16H22N2O4

M.W.:
306.36

1 activity values

1 unique targets

Type:
---

AlogP:
0.20

Polar Surface Area:
87.62

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.75

DETAILS

ALA5202783

Name:
7,7-Dimethyl-6,7-dihydro-1H,5H-pyrido[1,2,3-de]quinoxaline-2,3-dione

Mol. Formula:
C13H14N2O2

M.W.:
230.27

1 activity values

1 unique targets

Type:
---

AlogP:
1.37

Polar Surface Area:
54.86

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.69

DETAILS

ALA5202208

Name:
1-Allyl-6,7-dimethyl-4-((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)-1,4-dihydroqShow More⌵

Mol. Formula:
C18H24N2O6

M.W.:
364.40

1 activity values

1 unique targets

Type:
---

AlogP:
-0.96

Polar Surface Area:
124.92

HBA:
8

HBD:
4

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA5201809

Name:
2-(7,7-Dimethyl-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrido[1,2,3-de]quinoxalShow More⌵

Mol. Formula:
C15H16N2O4

M.W.:
288.30

1 activity values

1 unique targets

Type:
---

AlogP:
0.93

Polar Surface Area:
81.30

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.83

DETAILS

ALA5201726

Name:
6,6-Dimethyl-1-(((2R,3R,4R)-3,4,5-trimethoxytetrahydrofuran-2-yl)methyl)-5,Show More⌵

Mol. Formula:
C20H28N2O5

M.W.:
376.45

1 activity values

1 unique targets

Type:
---

AlogP:
1.89

Polar Surface Area:
63.85

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.80

DETAILS