Compounds

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4595091

Name:
(2S,3S)-N-(2-(Benzylamino)ethyl)-2-(3,5-dimethoxyphenyl)-1-isobutyl-6-oxopiShow More⌵

Mol. Formula:
C27H37N3O4

M.W.:
467.61

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4483423

Name:
N-(3-Chlorobenzyl)-N-(3,5-dihydroxyphenethyl)-4-hydroxybenzamide

Mol. Formula:
C22H20ClNO4

M.W.:
397.86

3 activity values

Type:
Unknown

AlogP:
4.34

Polar Surface Area:
81.00

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4445686

Name:
5-(1-Isobutyl-4-(3-phenoxyphenyl)-1H-imidazol-5-yl)pyridin-2(1H)-one hydrocShow More⌵

Mol. Formula:
C24H24ClN3O2

M.W.:
421.93

Type:
Unknown

AlogP:
5.35

Polar Surface Area:
59.91

HBA:
4

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4438101

Name:
(+/-)-N-(2-(Benzylamino)ethyl)-2-(3,5-dimethoxyphenyl)-1-isobutyl-6-oxopipeShow More⌵

Mol. Formula:
C27H38ClN3O4

M.W.:
504.07

4 activity values

Type:
Unknown

AlogP:
3.55

Polar Surface Area:
79.90

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA4105230

Name:
7-(3-methoxyphenyl)-3-phenyl-1-(phenylsulfonyl)-1H-indole-4,5-dione

Mol. Formula:
C27H19NO5S

M.W.:
469.52

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
82.44

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4102819

Name:
3,7-diphenyl-1-(phenylsulfonyl)-1H-indole-4,5-dione

Mol. Formula:
C26H17NO4S

M.W.:
439.49

Type:
Small molecule

AlogP:
4.59

Polar Surface Area:
73.21

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA4100171

Name:
1-((4-fluorophenyl)sulfonyl)-3-phenyl-1H-indole-4,5-dione

Mol. Formula:
C20H12FNO4S

M.W.:
381.38

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
73.21

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4095140

Name:
2-(6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-ylthio)-N-(4-chlorophenShow More⌵

Mol. Formula:
C22H16ClN5O2S

M.W.:
449.92

Type:
Small molecule

AlogP:
4.47

Polar Surface Area:
124.82

HBA:
7

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA4095060

Name:
7-(4-methoxyphenyl)-3-phenyl-1-(phenylsulfonyl)-1H-indole-4,5-dione

Mol. Formula:
C27H19NO5S

M.W.:
469.52

Type:
Small molecule

AlogP:
4.60

Polar Surface Area:
82.44

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4094161

Name:
N-(4-((4,5-dioxo-3-phenyl-4,5-dihydro-1H-indol-1-yl)sulfonyl)phenyl)acetamiShow More⌵

Mol. Formula:
C22H16N2O5S

M.W.:
420.45

Type:
Small molecule

AlogP:
3.13

Polar Surface Area:
102.31

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4092808

Name:
1-((3-fluorophenyl)sulfonyl)-3-phenyl-1H-indole-4,5-dione

Mol. Formula:
C20H12FNO4S

M.W.:
381.38

Type:
Small molecule

AlogP:
3.31

Polar Surface Area:
73.21

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4081086

Name:
1-((3-nitrophenyl)sulfonyl)-3-phenyl-1H-indole-4,5-dione

Mol. Formula:
C20H12N2O6S

M.W.:
408.39

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
116.35

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4078539

Name:
2-(4-((4,5-dioxo-3-phenyl-1-(phenylsulfonyl)-4,5-di hydro-1H-indol-7-yl)thiShow More⌵

Mol. Formula:
C28H19NO6S2

M.W.:
529.60

Type:
Small molecule

AlogP:
4.92

Polar Surface Area:
110.51

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA4077803

Name:
(E)-6,8,11-trihydroxy-10-(5-hydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-8-Show More⌵

Mol. Formula:
C27H29NO10

M.W.:
527.53

Type:
Small molecule

AlogP:
2.35

Polar Surface Area:
175.34

HBA:
11

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA4077265

Name:
3-(4-methoxyphenyl)-1-(phenylsulfonyl)-1H-indole-4, 5-dione

Mol. Formula:
C21H15NO5S

M.W.:
393.42

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
82.44

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4076484

Name:
3-(4-(dimethylamino)phenyl)-1-(phenylsulfonyl)-1H-indole-4,5-dione

Mol. Formula:
C22H18N2O4S

M.W.:
406.46

Type:
Small molecule

AlogP:
3.24

Polar Surface Area:
76.45

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.62

DETAILS

ALA4075916

Name:
1-((4-nitrophenyl)sulfonyl)-3-phenyl-1H-indole-4,5-dione

Mol. Formula:
C20H12N2O6S

M.W.:
408.39

Type:
Small molecule

AlogP:
3.08

Polar Surface Area:
116.35

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.37

DETAILS

ALA4075620

Name:
3-(3-methoxyphenyl)-1-(phenylsulfonyl)-1H-indole-4,5-dione

Mol. Formula:
C21H15NO5S

M.W.:
393.42

Type:
Small molecule

AlogP:
3.18

Polar Surface Area:
82.44

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4073683

Name:
1-Phenylsulfonyl-3-phenyl-4,5-dioxo-6,9-ethanbenzo[g]indole

Mol. Formula:
C26H19NO4S

M.W.:
441.51