Compounds

ALA5271450

Name:
(S)-8-chloro-1-(2,6-dichlorophenyl)-5-(2,3-dihydroxypropoxy)-2-(hydroxymethShow More⌵

Mol. Formula:
C18H15Cl3N2O5

M.W.:
445.69

Type:
---

AlogP:
2.57

Polar Surface Area:
104.81

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5271366

Name:
8-chloro-1-(2,6-dichlorophenyl)-5-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)eShow More⌵

Mol. Formula:
C23H25Cl3N2O6

M.W.:
531.82

Type:
---

AlogP:
4.08

Polar Surface Area:
92.04

HBA:
8

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA5269440

Name:
1-(2,6-dichloro-4-(3-hydroxyprop-1-yn-1-yl)phenyl)-5-fluoro-2-methyl-1,7-naShow More⌵

Mol. Formula:
C18H11Cl2FN2O2

M.W.:
377.20

Type:
---

AlogP:
3.48

Polar Surface Area:
55.12

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA5282689

Name:
1-(2,6-dichlorophenyl)-7-fluoro-2-(methylthio)-4-oxo-1,4-dihydroquinoline-3Show More⌵

Mol. Formula:
C17H9Cl2FN2OS

M.W.:
379.24

Type:
---

AlogP:
5.03

Polar Surface Area:
45.79

HBA:
4

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA5281961

Name:
1-(2,6-dichloro-4-methoxyphenyl)-5-fluoro-2-methyl-1,7-naphthyridin-4(1H)-oShow More⌵

Mol. Formula:
C16H11Cl2FN2O2

M.W.:
353.18

Type:
---

AlogP:
4.15

Polar Surface Area:
44.12

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA5280047

Name:
1-(2,6-dichloro-4-(2,3-dihydroxypropoxy)phenyl)-5-fluoro-2-methyl-1,7-naphtShow More⌵

Mol. Formula:
C18H15Cl2FN2O4

M.W.:
413.23

Type:
---

AlogP:
2.87

Polar Surface Area:
84.58

HBA:
6

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5278366

Name:
8-chloro-1-(2,6-dichlorophenyl)-2-methyl-5-((2,4,5-trihydroxypentyl)oxy)-1,Show More⌵

Mol. Formula:
C20H19Cl3N2O5

M.W.:
473.74

Type:
---

AlogP:
3.14

Polar Surface Area:
104.81

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA5277008

Name:
1-(2,6-dichlorophenyl)-5-(2,3-dihydroxypropoxy)-2-methyl-7-morpholino-1,6-nShow More⌵

Mol. Formula:
C22H23Cl2N3O5

M.W.:
480.35

Type:
---

AlogP:
2.57

Polar Surface Area:
97.05

HBA:
8

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5274259

Name:
8-chloro-1-(2,6-dichlorophenyl)-5-((1,3-dihydroxypropan-2-yl)oxy)-2-(hydroxShow More⌵

Mol. Formula:
C18H15Cl3N2O5

M.W.:
445.69

Type:
---

AlogP:
2.57

Polar Surface Area:
104.81

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5274137

Name:
8-chloro-1-(2,6-dichlorophenyl)-5-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)-Show More⌵

Mol. Formula:
C18H15Cl3N2O5

M.W.:
445.69

Type:
---

AlogP:
2.57

Polar Surface Area:
104.81

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA5286246

Name:
3,5-dichloro-4-(5-fluoro-2-methyl-4-oxo-1,7-naphthyridin-1(4H)-yl)benzonitrShow More⌵

Mol. Formula:
C16H8Cl2FN3O

M.W.:
348.16

Type:
---

AlogP:
4.01

Polar Surface Area:
58.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA5286244

Name:
1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-methoxy-8-methyl-1,6-naphthyridiShow More⌵

Mol. Formula:
C17H14Cl2N2O3

M.W.:
365.22

Type:
---

AlogP:
3.50

Polar Surface Area:
64.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.77

DETAILS

ALA5285569

Name:
8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-(3-(methylsulfonyl)propShow More⌵

Mol. Formula:
C19H17Cl3N2O5S

M.W.:
491.78

Type:
---

AlogP:
3.65

Polar Surface Area:
98.49

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA5290509

Name:
1-(2,6-dichloro-4-(3-morpholinoprop-1-yn-1-yl)phenyl)-5-fluoro-2-methyl-1,7Show More⌵

Mol. Formula:
C22H18Cl2FN3O2

M.W.:
446.31

Type:
---

AlogP:
3.82

Polar Surface Area:
47.36

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA5289977

Name:
8-chloro-1-(2,6-dichlorophenyl)-2-(hydroxymethyl)-5-methoxy-1,6-naphthyridiShow More⌵

Mol. Formula:
C16H11Cl3N2O3

M.W.:
385.63

Type:
---

AlogP:
3.85

Polar Surface Area:
64.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA5288908

Name:
8-chloro-1-(2,6-dichlorophenyl)-5-(3-(2,3-dihydroxypropoxy)-2-hydroxypropoxShow More⌵

Mol. Formula:
C21H21Cl3N2O6

M.W.:
503.77

Type:
---

AlogP:
2.76

Polar Surface Area:
114.04

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA5287217

Name:
8-chloro-1-(2,6-dichlorophenyl)-5-(2-hydroxyethoxy)-2-methyl-1,6-naphthyridShow More⌵

Mol. Formula:
C17H13Cl3N2O3

M.W.:
399.66

Type:
---

AlogP:
4.03

Polar Surface Area:
64.35

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4295187

Name:
8beta,9alpha-Diacetoxy-3beta-benzoyloxy-15beta-hydroxy-7beta,14beta-ditigloShow More⌵

Mol. Formula:
C41H54O11

M.W.:
722.87

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
6.40

Polar Surface Area:
151.73

HBA:
11

HBD:
1

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4295025

Name:
3-O-angeloyl-17-angeloyloxy-20-deoxyingenol

Mol. Formula:
C30H40O7

M.W.:
512.64

6 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.85

Polar Surface Area:
110.13

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA4291875

Name:
8beta,9alpha,14beta-Triacetoxy-3beta-benzoyloxy-7beta,15beta-dihydroxyjatroShow More⌵

Mol. Formula:
C33H44O10

M.W.:
600.71

2 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.93

Polar Surface Area:
145.66

HBA:
10

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.29

DETAILS