Compounds

ALA2261923

Name:
(13aS)-2,2,2-trifluoroethyl 9-oxo-7-((trimethylsilyl)ethynyl)-11,12,13,13a-Show More⌵

Mol. Formula:
C22H22F3N3O3Si

M.W.:
461.52

6 activity values

6 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2261921

Name:
(13aS)-tert-butyl 9-oxo-7-((trimethylsilyl)ethynyl)-11,12,13,13a-tetrahydroShow More⌵

Mol. Formula:
C24H29N3O3Si

M.W.:
435.60

6 activity values

6 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA2261920

Name:
(13aS)-tert-butyl 7-ethynyl-9-oxo-11,12,13,13a-tetrahydro-9H-benzo[e]imidazShow More⌵

Mol. Formula:
C21H21N3O3

M.W.:
363.42

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.10

Polar Surface Area:
64.43

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.58

DETAILS

ALA2261915

Name:
(13aS)-2,2,2-trifluoroethyl 7-bromo-9-oxo-11,12,13,13a-tetrahydro-9H-benzo[Show More⌵

Mol. Formula:
C17H13BrF3N3O3

M.W.:
444.21

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.64

Polar Surface Area:
64.43

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.66

DETAILS

ALA2261630

Name:
(13aS)-2,2,2-trifluoroethyl 9-oxo-7-phenyl-11,12,13,13a-tetrahydro-9H-benzoShow More⌵

Mol. Formula:
C23H18F3N3O3

M.W.:
441.41

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
4.55

Polar Surface Area:
64.43

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA499964

Name:
Bis(8-acetylenyl-6-phenyl-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxyShow More⌵

Mol. Formula:
C44H32N6O5

M.W.:
724.78

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
5.75

Polar Surface Area:
122.19

HBA:
11

HBD:
---

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA522055

Name:
ethyl 8-ethynyl-6-phenyl-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylShow More⌵

Mol. Formula:
C22H17N3O2

M.W.:
355.40

21 activity values

13 unique targets

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
56.48

HBA:
5

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.53

DETAILS

ALA443736

Name:
1,3-Bis(8-ethyl-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazeShow More⌵

Mol. Formula:
C33H34N6O6

M.W.:
610.67

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.76

Polar Surface Area:
128.86

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA449393

Name:
1,5-Bis(8-acetyleno-5,6-dihydro-5-methyl-6-oxo-4Himidazo[1,5-a][1,4]benzodiShow More⌵

Mol. Formula:
C35H30N6O6

M.W.:
630.66

6 activity values

6 unique targets

Type:
Small molecule

AlogP:
3.38

Polar Surface Area:
128.86

HBA:
10

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA394710

Name:
7-ethynyl-4-methyl-5-oxo-4,5-dihydroimidazo[1,5-a]quinazolin-3-yl 7-ethynylShow More⌵

Mol. Formula:
C30H20N6O6

M.W.:
560.53

13 activity values

7 unique targets

Type:
Small molecule

AlogP:
1.66

Polar Surface Area:
131.20

HBA:
12

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.18

DETAILS