Compounds

Type:
Small molecule

AlogP:
5.12

Polar Surface Area:
58.98

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA2297411

Name:
2-Methyl-3-(1-thia-3,4,9-triaza-fluoren-2-yl)-thia
Show More⌵

Mol. Formula:
C13H10N4OS2

M.W.:
302.38

Type:
Small molecule

AlogP:
2.62

Polar Surface Area:
58.98

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA2297410

Name:
3-(6-Chloro-1-thia-3, 4, 9-triaza-fluoren-2-yl)-2-
Show More⌵

Mol. Formula:
C17H10ClN5OS2

M.W.:
399.89

Type:
Small molecule

AlogP:
4.02

Polar Surface Area:
71.87

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.51

DETAILS

ALA2297229

Name:
3-(6-Chloro-1-thia-3,4,9-triaza-fluoren-2-yl)-2-na
Show More⌵

Mol. Formula:
C22H13ClN4OS2

M.W.:
448.96

Type:
Small molecule

AlogP:
5.78

Polar Surface Area:
58.98

HBA:
6

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA2297228

Name:
3-(6-Chloro-1-thia-3,4,9-triaza-fluoren-2-yl)-2-me
Show More⌵

Mol. Formula:
C13H9ClN4OS2

M.W.:
336.83

Type:
Small molecule

AlogP:
3.27

Polar Surface Area:
58.98

HBA:
6

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA2297227

Name:
2-Pyridin-2-yl-3-(1-thia-3,4,9-triaza-fluoren-2-yl
Show More⌵

Mol. Formula:
C17H11N5OS2

M.W.:
365.44

Type:
Small molecule

AlogP:
3.36

Polar Surface Area:
71.87

HBA:
7

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.54

DETAILS

ALA3329264

Name:
1-((8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethy
Show More⌵

Mol. Formula:
C28H36O2

M.W.:
404.59

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.21

Polar Surface Area:
37.30

HBA:
2

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3325771

Name:
Ralfuranone I

Mol. Formula:
C18H12O4

M.W.:
292.29

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.12

Polar Surface Area:
63.60

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.70

DETAILS

ALA3113672

Name:
1,4-Bis(3-(4-chlorophenyl)-4-(4-methylphenylsulfon
Show More⌵

Mol. Formula:
C38H26Cl2N2O6S2

M.W.:
741.67

24 activity values

Type:
Small molecule

AlogP:
9.92

Polar Surface Area:
120.34

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3113671

Name:
1,4-Bis(3-(4-methoxyphenyl)-4-(4-methylphenylsulfo
Show More⌵

Mol. Formula:
C40H32N2O8S2

M.W.:
732.84

Type:
Small molecule

AlogP:
8.63

Polar Surface Area:
138.80

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA3113670

Name:
1,4-Bis(3-(4-chlorophenyl)-4-(phenylsulfonyl)-isox
Show More⌵

Mol. Formula:
C36H22Cl2N2O6S2

M.W.:
713.62

24 activity values

Type:
Small molecule

AlogP:
9.30

Polar Surface Area:
120.34

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3113669

Name:
1,4-Bis(3-(4-methoxyphenyl)-4-(phenylsulfonyl)-iso
Show More⌵

Mol. Formula:
C38H28N2O8S2

M.W.:
704.78

Type:
Small molecule

AlogP:
8.01

Polar Surface Area:
138.80

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3113668

Name:
1,4-Bis(3-(4-chlorophenyl)-(1-phenyl)-4-(4-chlorop
Show More⌵

Mol. Formula:
C48H30Cl4N4O4S2

M.W.:
932.74

24 activity values

Type:
Small molecule

AlogP:
13.01

Polar Surface Area:
103.92

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3113667

Name:
1,4-Bis(3-(4-methoxyphenyl)-(1-phenyl)-4-(4-chloro
Show More⌵

Mol. Formula:
C50H36Cl2N4O6S2

M.W.:
923.90

Type:
Small molecule

AlogP:
11.72

Polar Surface Area:
122.38

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3113666

Name:
1,4-Bis(3-(4-chlorophenyl)-(1-phenyl)-4-(4-methylp
Show More⌵

Mol. Formula:
C50H36Cl2N4O4S2

M.W.:
891.90

Type:
Small molecule

AlogP:
12.32

Polar Surface Area:
103.92

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3113665

Name:
1,4-Bis(3-(4-methoxyphenyl)-(1-phenyl)-4-(4-methyl
Show More⌵

Mol. Formula:
C52H42N4O6S2

M.W.:
883.06

Type:
Small molecule

AlogP:
11.03

Polar Surface Area:
122.38

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3113664

Name:
1,4-Bis(3-(4-chlorophenyl)-(1-phenyl)-4-(phenylsul
Show More⌵

Mol. Formula:
C48H32Cl2N4O4S2

M.W.:
863.85

Type:
Small molecule

AlogP:
11.70

Polar Surface Area:
103.92

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA3113663

Name:
1,4-Bis(3-(4-methoxyphenyl)-(1-phenyl)-4-(phenylsu
Show More⌵

Mol. Formula:
C50H38N4O6S2

M.W.:
855.01

Type:
Small molecule

AlogP:
10.41

Polar Surface Area:
122.38

HBA:
10

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA3113662

Name:
1,4-Bis(3-(4-chlorophenyl)-4-(4-chlorophenylsulfon
Show More⌵

Mol. Formula:
C36H24Cl4N2O6S2

M.W.:
786.54

Type:
Small molecule

AlogP:
8.94

Polar Surface Area:
111.46

HBA:
8

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA3113661

Name:
1,4-Bis(3-(4-methoxyphenyl)-4-(4-chlorophenylsulfo
Show More⌵

Mol. Formula:
C38H30Cl2N2O8S2

M.W.:
777.70