Compounds

Type:
Unknown

AlogP:
2.47

Polar Surface Area:
86.09

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.60

DETAILS

ALA4518577

Name:
1-(3-methoxyphenyl)-3-(4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione

Mol. Formula:
C22H17N3O5

M.W.:
403.39

Type:
Unknown

AlogP:
2.48

Polar Surface Area:
95.32

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4483402

Name:
1-(2-methoxy-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione

Mol. Formula:
C22H17N3O5

M.W.:
403.39

Type:
Unknown

AlogP:
2.48

Polar Surface Area:
95.32

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4464173

Name:
1-(3-methoxy-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione

Mol. Formula:
C22H17N3O5

M.W.:
403.39

Type:
Unknown

AlogP:
2.48

Polar Surface Area:
95.32

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4464037

Name:
1-(3-methyl-4-phenoxyphenyl)-3-phenyl-1,3,5-triazinane-2,4,6-trione

Mol. Formula:
C22H17N3O4

M.W.:
387.40

Type:
Unknown

AlogP:
2.78

Polar Surface Area:
86.09

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4112878

Name:
US9150578, I-163

Mol. Formula:
C35H39N9O3

M.W.:
633.76

Type:
Small molecule

AlogP:
4.24

Polar Surface Area:
124.25

HBA:
11

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA4108861

Name:
US8735386, I-43

Mol. Formula:
C22H23ClN7+

M.W.:
420.93

Type:
Small molecule

AlogP:
4.06

Polar Surface Area:
75.30

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4096340

Name:
7-((1s,3s)-3-(azetidin-1-ylmethyl)cyclobutyl)-5-(3-(2-((S)-tetrahydrofuran-Show More⌵

Mol. Formula:
C27H35N5O2

M.W.:
461.61

Type:
Small molecule

AlogP:
4.67

Polar Surface Area:
78.43

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA4091008

Name:
5-((5-chloro-2-oxoindolin-3-yl)methyl)-N-(2-(dimethylamino)ethyl)-2,4-dimetShow More⌵

Mol. Formula:
C20H25ClN4O2

M.W.:
388.90

Type:
Small molecule

AlogP:
2.85

Polar Surface Area:
77.23

HBA:
3

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4079665

Name:
5-amino-N-(2,6-difluorophenyl)-3-(4-sulfamoylphenylamino)-2,3-dihydro-1H-1,Show More⌵

Mol. Formula:
C15H15F2N7O2S2

M.W.:
427.46

Type:
Small molecule

AlogP:
0.84

Polar Surface Area:
137.87

HBA:
7

HBD:
5

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3987052

Name:
N-(((1s,3s)-3-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)Show More⌵

Mol. Formula:
C19H21N5O2

M.W.:
351.41

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
106.06

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA3986972

Name:
N-(2,6-difluorophenyl)-5-(3-{2-[(5-ethyl-2-(ethyloxy)-4-{4-[4-(methylsulfonShow More⌵

Mol. Formula:
C46H51F2N9O5S

M.W.:
880.03

8 activity values

Type:
Small molecule

AlogP:
7.64

Polar Surface Area:
146.53

HBA:
12

HBD:
2

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA3986771

Name:
N4-(5-cyclopropyl-1H-pyrazol-3-yl)-6-morpholin-4-yl-N2-[(3-pyrimidin-4-ylisShow More⌵

Mol. Formula:
C22H24N10O2

M.W.:
460.50

2 activity values

Type:
Small molecule

AlogP:
2.71

Polar Surface Area:
142.80

HBA:
11

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA3986630

Name:
3-(4-(5-bromo-4-(3-cyclopropyl-1H-pyrazol-5-ylamino)pyrimidin-2-ylamino)pheShow More⌵

Mol. Formula:
C21H24BrN7O

M.W.:
470.38

2 activity values

Type:
Small molecule

AlogP:
4.35

Polar Surface Area:
98.83

HBA:
6

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3986506

Name:
N-(2,6-difluorophenyl)-3-(3-{2-[(4-{1-[2-(methylsulfonyl)ethyl]-4-piperidinShow More⌵

Mol. Formula:
C41H41F2N7O3S

M.W.:
749.89

8 activity values

Type:
Small molecule

AlogP:
7.91

Polar Surface Area:
121.59

HBA:
9

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3986353

Name:
US9150578, I-116

Mol. Formula:
C30H34N10

M.W.:
534.67

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
94.51

HBA:
10

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3986321

Name:
N2-{[3-(1-methylethyl)isoxazol-5-yl]methyl}-N4-[3-(1-methylethyl)-1H-pyrazoShow More⌵

Mol. Formula:
C22H32N8O2

M.W.:
440.55

2 activity values

Type:
Small molecule

AlogP:
3.87

Polar Surface Area:
117.02

HBA:
9

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3985755

Name:
US9150578, I-146

Mol. Formula:
C33H37N9O2

M.W.:
591.72

Type:
Small molecule

AlogP:
4.01

Polar Surface Area:
115.02

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3985754

Name:
N-(2,6-difluorophenyl)-3-{3-[2-({2-(methyloxy)-4-[4-(methyloxy)-1-piperidinShow More⌵

Mol. Formula:
C37H33F2N7O3

M.W.:
661.71

6 activity values