Compounds

ALA2115576

Name:
(3S,10R,13S)-17-((S)-2-Hydroxy-1-methyl-pent-4-ynyl)-10,13-dimethyl-2,3,4,7Show More⌵

Mol. Formula:
C25H38O2

M.W.:
370.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.95

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA2115558

Name:
(3S,10R,13S)-17-((S)-2-Hydroxy-1-methyl-pent-4-ynyl)-10,13-dimethyl-2,3,4,7Show More⌵

Mol. Formula:
C25H38O2

M.W.:
370.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.95

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA303528

Name:
(3S,10R,13S)-17-((R)-2-Hydroxy-1-methyl-pent-4-ynyl)-10,13-dimethyl-2,3,4,7Show More⌵

Mol. Formula:
C25H38O2

M.W.:
370.58

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.95

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.55

DETAILS

ALA58087

Name:
(5R,10S)-17-(2-Hydroxy-1-methyl-but-3-ynyl)-10-(S)-methyl-13-(R)-methyl-2,3Show More⌵

Mol. Formula:
C24H36O2

M.W.:
356.55

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
4.56

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.56

DETAILS

ALA58036

Name:
(3S,10R,13S)-17-((R)-2-Hydroxy-1-methyl-4-trimethylsilanyl-but-3-ynyl)-10,1Show More⌵

Mol. Formula:
C27H44O2Si

M.W.:
428.73

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA296203

Name:
(2S,3R)-2-[((S)-1-{(S)-2-[(S)-2-((S)-2-Amino-5-guanidino-pentanoylamino)-3-Show More⌵

Mol. Formula:
C36H50F9N7O15

M.W.:
991.81

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.30

Polar Surface Area:
272.99

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA42465

Name:
(S)-1-{(S)-2-[(S)-2-((S)-2-Amino-5-guanidino-pentanoylamino)-3-(4-hydroxy-pShow More⌵

Mol. Formula:
C36H49F9N6O16

M.W.:
992.80

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-0.87

Polar Surface Area:
270.19

HBA:
11

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA297610

Name:
(S)-1-{(S)-2-[(S)-2-((S)-2-Amino-5-guanidino-pentanoylamino)-3-(4-hydroxy-pShow More⌵

Mol. Formula:
C36H50F9N7O15

M.W.:
991.81

1 activity values

1 unique targets

Type:
Protein

AlogP:
-1.30

Polar Surface Area:
272.99

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA288887

Name:
(S)-2-Amino-5-guanidino-pentanoic acid (S)-1-{(S)-1-[(S)-2-((1S,2R)-1-carboShow More⌵

Mol. Formula:
C36H50F9N7O15

M.W.:
991.81

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.30

Polar Surface Area:
272.99

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.04

DETAILS