Compounds

ALA4166112

Name:
Namalide B

Mol. Formula:
C29H45N5O7

M.W.:
575.71

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.81

Polar Surface Area:
185.96

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4159803

Name:
Namalide C

Mol. Formula:
C28H43N5O7

M.W.:
561.68

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
1.42

Polar Surface Area:
185.96

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.24

DETAILS

ALA247767

Name:
4-{[1-(1-Benzyl-2-oxo-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-[3-(1-carboxShow More⌵

Mol. Formula:
C31H41N7O6

M.W.:
607.71

13 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.69

Polar Surface Area:
201.61

HBA:
6

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA182348

Name:
8-Amino-2-methyl-benzo[c]chromen-6-one

Mol. Formula:
C14H11NO2

M.W.:
225.25

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.84

Polar Surface Area:
56.23

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
---

Passes Ro3:
Y

QED Weighted:
0.36

DETAILS

ALA82686

Name:
1-(3,3-Dimethyl-2-oxo-butyl)-1H-indole-2,3-dione

Mol. Formula:
C14H15NO3

M.W.:
245.28

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.83

Polar Surface Area:
54.45

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
Y

QED Weighted:
0.75

DETAILS

ALA315217

Name:
3-(3-{4-[2-(5-Nitro-2,3-dioxo-2,3-dihydro-indol-1-yl)-acetyl]-piperazine-1-Show More⌵

Mol. Formula:
C25H24N6O9

M.W.:
552.50

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.39

Polar Surface Area:
188.57

HBA:
9

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA313274

Name:
[3-(3-{4-[2-(5-Nitro-2,3-dioxo-2,3-dihydro-indol-1-yl)-acetyl]-piperazine-1Show More⌵

Mol. Formula:
C27H29N7O9

M.W.:
595.57

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.56

Polar Surface Area:
200.60

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA312437

Name:
[(S)-1-((S)-1-Benzylcarbamoyl-ethylcarbamoyl)-ethyl]-carbamic acid tert-butShow More⌵

Mol. Formula:
C18H27N3O4

M.W.:
349.43

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.72

Polar Surface Area:
96.53

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.73

DETAILS

ALA83686

Name:
1-[2-(4-Chloro-phenyl)-2-oxo-ethyl]-1H-indole-2,3-dione

Mol. Formula:
C16H10ClNO3

M.W.:
299.71

10 activity values

8 unique targets

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
54.45

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.65

DETAILS

ALA312604

Name:
1-[2-(4-Fluoro-phenyl)-2-oxo-ethyl]-1H-indole-2,3-dione

Mol. Formula:
C16H10FNO3

M.W.:
283.26

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.24

Polar Surface Area:
54.45

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.64

DETAILS

ALA84975

Name:
5-Chloro-1-(2-{4-[2,4-dioxo-4-(4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepShow More⌵

Mol. Formula:
C27H26ClN5O6

M.W.:
551.99

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
1.35

Polar Surface Area:
127.41

HBA:
7

HBD:
1

#RO5 Violations:
1

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.42

DETAILS

ALA85676

Name:
1-(3-Acetyl-phenyl)-3-{4-[2-(5,7-dimethyl-2,3-dioxo-2,3-dihydro-indol-1-yl)Show More⌵

Mol. Formula:
C26H27N5O6

M.W.:
505.53

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
136.20

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA82234

Name:
1-{4-[2-(2,3-Dioxo-5-trifluoromethoxy-2,3-dihydro-indol-1-yl)-acetyl]-piperShow More⌵

Mol. Formula:
C27H22F3N5O6

M.W.:
569.50

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.35

Polar Surface Area:
128.36

HBA:
6

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA84471

Name:
1-(2-Naphthalen-2-yl-2-oxo-ethyl)-5-trifluoromethoxy-1H-indole-2,3-dione

Mol. Formula:
C21H12F3NO4

M.W.:
399.32

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
4.15

Polar Surface Area:
63.68

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA313967

Name:
1-(3-Cyano-phenyl)-3-{4-[2-(2,3-dioxo-5-trifluoromethoxy-2,3-dihydro-indol-Show More⌵

Mol. Formula:
C24H19F3N6O6

M.W.:
544.45

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.07

Polar Surface Area:
152.15

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA315200

Name:
1-{4-[2-(5-Chloro-2,3-dioxo-2,3-dihydro-indol-1-yl)-acetyl]-piperazine-1-caShow More⌵

Mol. Formula:
C26H22ClN5O5

M.W.:
519.95

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
3.11

Polar Surface Area:
119.13

HBA:
5

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.52

DETAILS

ALA84747

Name:
1-(2-Oxo-2-p-tolyl-ethyl)-1H-indole-2,3-dione

Mol. Formula:
C17H13NO3

M.W.:
279.30

3 activity values

3 unique targets

Type:
Small molecule

AlogP:
2.41

Polar Surface Area:
54.45

HBA:
3

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
Y

QED Weighted:
0.64

DETAILS

ALA79466

Name:
2-(2,3-Dioxo-2,3-dihydro-indol-1-yl)-acetamide

Mol. Formula:
C10H8N2O3

M.W.:
204.19

8 activity values

7 unique targets

Type:
Small molecule

AlogP:
-0.30

Polar Surface Area:
80.47

HBA:
3

HBD:
1

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA75703

Name:
5-Iodomethylene-4-phenyl-dihydro-furan-2-one

Mol. Formula:
C11H9IO2

M.W.:
300.10

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
2.99

Polar Surface Area:
26.30

HBA:
2

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.59

DETAILS

ALA48345

Name:
Methyl-phosphonic acid 4-nitro-phenyl ester 2-(4-nitro-phenyl)-2-oxo-ethyl Show More⌵

Mol. Formula:
C15H13N2O8P

M.W.:
380.25

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
3.60

Polar Surface Area:
138.88

HBA:
8

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.29

DETAILS