Compounds

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA3628747

Name:
S-[4-[(5S,9R,12R,15R)-12-[(4-hydroxyphenyl)methyl]-9,15-diisopropyl-3,7,10,Show More⌵

Mol. Formula:
C31H42N6O7S

M.W.:
642.78

Type:
Small molecule

AlogP:
2.21

Polar Surface Area:
181.61

HBA:
11

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA3628323

Name:
S-[4-[(5S,9R,12R,15R)-9,15-diisopropyl-12-[(1-methylimidazol-4-yl)methyl]-3Show More⌵

Mol. Formula:
C29H42N8O6S

M.W.:
630.77

Type:
Small molecule

AlogP:
1.23

Polar Surface Area:
179.20

HBA:
12

HBD:
3

#RO5 Violations:
2

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA3628322

Name:
S-[4-[(5S,9R,12R,15R)-12-benzyl-9,15-diisopropyl-3,7,10,13-tetraoxo-4-oxa-1Show More⌵

Mol. Formula:
C31H42N6O6S

M.W.:
626.78

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
161.38

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.23

DETAILS

ALA3628321

Name:
S-[4-[(5S,9R,12R,15R)-9-benzyl-15-isopropyl-12-methyl-3,7,10,13-tetraoxo-4-Show More⌵

Mol. Formula:
C29H38N6O6S

M.W.:
598.73

Type:
Small molecule

AlogP:
1.87

Polar Surface Area:
161.38

HBA:
10

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3628320

Name:
(6R,9R,12R,16S)-6,12-diisopropyl-9-methyl-16-[4-(octyldisulfanyl)but-1-enylShow More⌵

Mol. Formula:
C30H52N4O6S2

M.W.:
628.90

Type:
Small molecule

AlogP:
3.89

Polar Surface Area:
142.70

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA3628319

Name:
S-[4-[(6R,9R,12R,16S)-6,12-diisopropyl-9-methyl-2,5,8,11,14-pentaoxo-1-oxa-Show More⌵

Mol. Formula:
C30H50N4O7S

M.W.:
610.82

Type:
Small molecule

AlogP:
2.77

Polar Surface Area:
159.77

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA3628318

Name:
S-[4-[(6R,9R,12R,16S)-9-ethyl-6,12-diisopropyl-2,5,8,11,14-pentaoxo-1-oxa-4Show More⌵

Mol. Formula:
C25H40N4O7S

M.W.:
540.68

Type:
Small molecule

AlogP:
0.82

Polar Surface Area:
159.77

HBA:
8

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.21

DETAILS

ALA3628317

Name:
NA

Mol. Formula:
C26H32N4O5S2

M.W.:
544.70

Type:
Small molecule

AlogP:
2.61

Polar Surface Area:
129.39

HBA:
7

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.25

DETAILS

ALA3628316

Name:
(1S,14S,25R)-25-Isopropyl-8-trifluoromethoxy-2-oxa-16,17-dithia-12,24,27-trShow More⌵

Mol. Formula:
C25H30F3N3O6S2

M.W.:
589.66

Type:
Small molecule

AlogP:
3.03

Polar Surface Area:
122.83

HBA:
8

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA3628315

Name:
(1S,14S,25R)-25-Isopropyl-8-phenyl-2-oxa-16,17-dithia-12,24,27-triaza-tricyShow More⌵

Mol. Formula:
C30H35N3O5S2

M.W.:
581.76

5 activity values

4 unique targets

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
113.60

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.28

DETAILS

ALA3628314

Name:
(1S,14S,25R)-8-Bromo-25-isopropyl-2-oxa-16,17-dithia-12,24,27-triaza-tricycShow More⌵

Mol. Formula:
C24H30BrN3O5S2

M.W.:
584.56

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
113.60

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3628313

Name:
(1S,14S,25R)-7-Bromo-25-isopropyl-2-oxa-16,17-dithia-12,24,27-triaza-tricycShow More⌵

Mol. Formula:
C24H30BrN3O5S2

M.W.:
584.56

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
113.60

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.26

DETAILS

ALA3628312

Name:
(1S,14S,25R)-7-Chloro-25-isopropyl-2-oxa-16,17-dithia-12,24,27-triaza-tricyShow More⌵

Mol. Formula:
C24H30ClN3O5S2

M.W.:
540.11

Type:
Small molecule

AlogP:
2.78

Polar Surface Area:
113.60

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3628311

Name:
(1S,14S,25R)-25-Isopropyl-12-methyl-2-oxa-16,17-dithia-12,24,27-triaza-tricShow More⌵

Mol. Formula:
C25H33N3O5S2

M.W.:
519.69

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
104.81

HBA:
7

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

ALA3628310

Name:
(1S,14S,25R)-25-Isopropyl-2-oxa-16,17-dithia-12,24,27-triaza-tricyclo[12.7.Show More⌵

Mol. Formula:
C24H31N3O5S2

M.W.:
505.66

Type:
Small molecule

AlogP:
2.13

Polar Surface Area:
113.60

HBA:
7

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
1

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3235791

Name:
6-(3-Adamantan-1-yl-4-hydroxyphenyl)-naphthalene-2-carboxylic acid hydroxyaShow More⌵

Mol. Formula:
C27H27NO3

M.W.:
413.52

4 activity values