Compounds

ALA3987134

Name:
(3S,6S,9S,12S,15S)-methyl 3-(4-(aminomethyl)benzyl)-1-(4-tert-butylphenyl)-Show More⌵

Mol. Formula:
C44H69N7O8

M.W.:
824.08

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.47

Polar Surface Area:
221.29

HBA:
10

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3986571

Name:
(6S,9S,12S,15S)-6-benzyl-15-((S)-3-hydroxy-1-methoxy-1-oxopropan-2-ylcarbamShow More⌵

Mol. Formula:
C41H62N7O9+

M.W.:
796.99

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.53

Polar Surface Area:
212.34

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA3985510

Name:
(6S,9S,12S,15S,18S)-methyl 15-(4-(azepan-1-yl)butyl)-6-benzyl-18-(hydroxymeShow More⌵

Mol. Formula:
C43H63N7O9

M.W.:
822.02

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.36

Polar Surface Area:
224.37

HBA:
10

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3982833

Name:
(S)-2-[(S)-6-(Adamantan-2-ylamino)-2-((S)-2-{(S)-2-[(S)-2-(2-benzoylamino-aShow More⌵

Mol. Formula:
C47H67N7O9

M.W.:
874.09

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.90

Polar Surface Area:
233.16

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3978944

Name:
(2S,5S,8S,11S,14S)-methyl 14-benzyl-5-(4-(diethylamino)butyl)-2-(hydroxymetShow More⌵

Mol. Formula:
C44H62N6O8

M.W.:
803.01

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.79

Polar Surface Area:
195.27

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3978346

Name:
(6S,9S,12S,15S,18S)-methyl 6-benzyl-18-(hydroxymethyl)-12-isobutyl-15-(4-(iShow More⌵

Mol. Formula:
C40H59N7O9

M.W.:
781.95

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.48

Polar Surface Area:
233.16

HBA:
10

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA3974828

Name:
(6S,9S,12S,15S,18S)-methyl 6-benzyl-15-(4-(diethylamino)butyl)-18-(hydroxymShow More⌵

Mol. Formula:
C41H61N7O9

M.W.:
795.98

6 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.83

Polar Surface Area:
224.37

HBA:
10

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3973366

Name:
(3S,6S,9S,12S,15S)-methyl 3-benzyl-12-(4-(diethylamino)butyl)-15-(hydroxymeShow More⌵

Mol. Formula:
C40H57F3N6O8

M.W.:
806.92

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.73

Polar Surface Area:
195.27

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3972289

Name:
(3S,6S,9S,12S,15S)-methyl 3-benzyl-1-(4-tert-butylphenyl)-15-(hydroxymethylShow More⌵

Mol. Formula:
C45H70N6O8

M.W.:
823.09

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.79

Polar Surface Area:
195.27

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3970686

Name:
(2S,5S,8S,11S,14S)-methyl 14-benzyl-17-(4-tert-butylphenyl)-5-(4-(diethylamShow More⌵

Mol. Formula:
C44H68N6O8

M.W.:
809.06

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.94

Polar Surface Area:
195.27

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3969494

Name:
4-tert-butyl-N-((8S,11S,14S,17S)-3-ethyl-8-(2-hydroxyethylcarbamoyl)-11-isoShow More⌵

Mol. Formula:
C41H64N6O6

M.W.:
737.00

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
3.47

Polar Surface Area:
168.97

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
22

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA3966329

Name:
(6S,9S,12S,15S,18S)-methyl 6-benzyl-18-(hydroxymethyl)-12-isobutyl-9-methylShow More⌵

Mol. Formula:
C42H61N7O9

M.W.:
807.99

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.97

Polar Surface Area:
224.37

HBA:
10

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3963110

Name:
(6S,9S,12S,15S)-6-benzyl-15-((S)-3-hydroxy-1-methoxy-1-oxopropan-2-ylcarbamShow More⌵

Mol. Formula:
C41H62N7O9+

M.W.:
796.99

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.53

Polar Surface Area:
212.34

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA3958557

Name:
(3S,6S,9S,12S)-3-benzyl-1-(4-tert-butylphenyl)-12-((S)-3-hydroxy-1-methoxy-Show More⌵

Mol. Formula:
C42H65N6O8+

M.W.:
782.02

7 activity values

6 unique targets

Type:
Small molecule

AlogP:
2.37

Polar Surface Area:
192.03

HBA:
8

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3955176

Name:
(6S,9S,12S,15S,18S)-methyl 6-benzyl-15-(4-(dicyclobutylamino)butyl)-18-(hydShow More⌵

Mol. Formula:
C45H65N7O9

M.W.:
848.05

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
1.89

Polar Surface Area:
224.37

HBA:
10

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3954152

Name:
(6S,9S,12S,15S,18S)-methyl 6-benzyl-15-(4-(dimethylamino)butyl)-18-(hydroxyShow More⌵

Mol. Formula:
C39H57N7O9

M.W.:
767.93

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.05

Polar Surface Area:
224.37

HBA:
10

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA3953637

Name:
(3S,6S,9S,12S,15S)-methyl 3-benzyl-12-(4-(diethylamino)butyl)-1-(4-ethylpheShow More⌵

Mol. Formula:
C41H62N6O8

M.W.:
766.98

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.27

Polar Surface Area:
195.27

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA3951389

Name:
(6S,9S,12S,15S)-6-benzyl-15-((S)-3-hydroxy-1-methoxy-1-oxopropan-2-ylcarbamShow More⌵

Mol. Formula:
C41H62N7O9+

M.W.:
796.99

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
0.53

Polar Surface Area:
212.34

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA3949885

Name:
(2S,5S,8S,11S,14S)-methyl 14-benzyl-5-(4-(diethylamino)butyl)-2-(hydroxymetShow More⌵

Mol. Formula:
C42H61N7O8

M.W.:
791.99

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
2.12

Polar Surface Area:
211.06

HBA:
9

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA3946489

Name:
N-((9S,12S,15S,18S)-18-benzyl-9-((S)-3-hydroxy-1-methoxy-1-oxopropan-2-ylcaShow More⌵

Mol. Formula:
C42H64N9O9+

M.W.:
839.03

5 activity values

5 unique targets

Type:
Small molecule

AlogP:
-0.74

Polar Surface Area:
239.41

HBA:
9

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.02

DETAILS