Compounds

Type:
Small molecule

AlogP:
2.93

Polar Surface Area:
80.31

HBA:
4

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.78

DETAILS

ALA4295120

Name:
1-Methyl-N-(1-methylcyclopropyl)-3-[(5-methylisoxazol-4-yl)methyl]-2,4-dioxShow More⌵

Mol. Formula:
C18H20N4O5S

M.W.:
404.45

Type:
Small molecule

AlogP:
0.88

Polar Surface Area:
116.20

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4294973

Name:
N-tert-butyl-2-oxo-1,2-dihydroquinoline-6-sulfonamide

Mol. Formula:
C13H16N2O3S

M.W.:
280.35

Type:
Small molecule

AlogP:
1.60

Polar Surface Area:
79.03

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4294552

Name:
1-Methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(4-pyridylmethyl)quinazoline-6Show More⌵

Mol. Formula:
C19H20N4O4S

M.W.:
400.46

Type:
Small molecule

AlogP:
0.97

Polar Surface Area:
103.06

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.69

DETAILS

ALA4294475

Name:
1-[(2,5-Dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)3-[(3-methylisoShow More⌵

Mol. Formula:
C23H26N6O5S

M.W.:
498.57

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.43

Polar Surface Area:
134.02

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.41

DETAILS

ALA4294224

Name:
N-(2-Methoxy-1,1-dimethyl-ethyl)-9,10-dioxo-anthracene-2-sulfonamide

Mol. Formula:
C19H19NO5S

M.W.:
373.43

Type:
Small molecule

AlogP:
2.17

Polar Surface Area:
89.54

HBA:
5

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.74

DETAILS

ALA4294064

Name:
N-(1-Methylcyclopropyl)-3-[(3-methylisoxazol-5-yl)methyl]-2,4dioxo-1-prop-2Show More⌵

Mol. Formula:
C20H20N4O5S

M.W.:
428.47

3 activity values

2 unique targets

Type:
Small molecule

AlogP:
0.97

Polar Surface Area:
116.20

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA4294008

Name:
3-(Isoxazol-5-ylmethyl)-1-methyl-N-(1-methylcyclopropyl)-2,4dioxo-quinazoliShow More⌵

Mol. Formula:
C17H18N4O5S

M.W.:
390.42

Type:
Small molecule

AlogP:
0.57

Polar Surface Area:
116.20

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA4293745

Name:
1-[(2,5-Dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)3-[(1-methylpyrShow More⌵

Mol. Formula:
C23H27N7O4S

M.W.:
497.58

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.87

Polar Surface Area:
125.81

HBA:
10

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.40

DETAILS

ALA4293705

Name:
1-Methyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-3-yl)methyl]-2,4-dioxoShow More⌵

Mol. Formula:
C18H21N5O4S

M.W.:
403.46

Type:
Small molecule

AlogP:
0.31

Polar Surface Area:
107.99

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA4293317

Name:
1-[(2,5-Dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)3-[(5-methyl-1,Show More⌵

Mol. Formula:
C22H25N7O4S2

M.W.:
515.62

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.29

Polar Surface Area:
133.77

HBA:
11

HBD:
1

#RO5 Violations:
2

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.39

DETAILS

ALA4293275

Name:
3-Ethyl-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-quinazoline-6-sulfonamidShow More⌵

Mol. Formula:
C15H19N3O4S

M.W.:
337.40

Type:
Small molecule

AlogP:
0.55

Polar Surface Area:
90.17

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.88

DETAILS

ALA4293225

Name:
1-Methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-[2-oxo-2-(4-pyridyl)ethyl]quinShow More⌵

Mol. Formula:
C20H20N4O5S

M.W.:
428.47

Type:
Small molecule

AlogP:
0.81

Polar Surface Area:
120.13

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA4293083

Name:
1-[(3-Methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-quinShow More⌵

Mol. Formula:
C21H23N3O5S

M.W.:
429.50

Type:
Small molecule

AlogP:
1.59

Polar Surface Area:
99.40

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4293024

Name:
N-(1-Cyanocyclopropyl)-1,3-dimethyl-2,4-dioxo-quinazoline-6sulfonamide

Mol. Formula:
C14H14N4O4S

M.W.:
334.36

Type:
Small molecule

AlogP:
-0.43

Polar Surface Area:
113.96

HBA:
7

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.82

DETAILS

ALA4292683

Name:
1-Methyl-N-(1-methylcyclopropyl)-3-[(4-methyl-1,2,5-oxadiazol3-yl)methyl]-2Show More⌵

Mol. Formula:
C17H19N5O5S

M.W.:
405.44

Type:
Small molecule

AlogP:
0.27

Polar Surface Area:
129.09

HBA:
9

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.64

DETAILS

ALA4292394

Name:
3-Methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-Show More⌵

Mol. Formula:
C13H15N3O4S

M.W.:
309.35

Type:
Small molecule

AlogP:
0.06

Polar Surface Area:
101.03

HBA:
5

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.84

DETAILS

ALA4292216

Name:
1-[(2,5-Dimethylpyrazol-3-yl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dShow More⌵

Mol. Formula:
C19H23N5O4S

M.W.:
417.49

Type:
Small molecule

AlogP:
0.62

Polar Surface Area:
107.99

HBA:
8

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.65

DETAILS

ALA4292028

Name:
1-Benzyl-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-quinazoline-6-sulfonamiShow More⌵

Mol. Formula:
C20H21N3O4S

M.W.:
399.47

Type:
Small molecule

AlogP:
1.58

Polar Surface Area:
90.17

HBA:
6

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.71

DETAILS

ALA4291914

Name:
N-Cyclobutyl-9,10-dioxo-anthracene-2-sulfonamide

Mol. Formula:
C18H15NO4S

M.W.:
341.39