Compounds

Type:
Small molecule

AlogP:
1.58

Polar Surface Area:
162.65

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3143523

Name:
2-Amino-N-[2-(3,5-di-tert-butyl-4-hydroxy-benzyl)-3,7,14-trioxo-1,4,8triazaShow More⌵

Mol. Formula:
C35H51N5O5

M.W.:
621.82

Type:
Small molecule

AlogP:
2.88

Polar Surface Area:
162.65

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.29

DETAILS

ALA3143521

Name:
2-Amino-N-[3-(3-tert-butyl-4-hydroxy-benzyl)-2,5,12-trioxo-1,4,11triaza-cycShow More⌵

Mol. Formula:
C34H49N5O5

M.W.:
607.80

Type:
Small molecule

AlogP:
2.75

Polar Surface Area:
162.65

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.30

DETAILS

ALA3143520

Name:
2-Amino-N-[2-(4-tert-butoxy-benzyl)-3,7,14-trioxo-1,4,8triaza-cyclotetradecShow More⌵

Mol. Formula:
C31H43N5O5

M.W.:
565.72

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
151.65

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3143519

Name:
2-Amino-N-[2-(4-sec-butoxy-benzyl)-3,7,14-trioxo-1,4,8triaza-cyclotetradec-Show More⌵

Mol. Formula:
C31H43N5O5

M.W.:
565.72

Type:
Small molecule

AlogP:
1.75

Polar Surface Area:
151.65

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3143518

Name:
2-Amino-N-[2-(3-tert-butyl-4-hydroxy-benzyl)-3,8,15-trioxo-1,4,9triaza-cyclShow More⌵

Mol. Formula:
C32H45N5O5

M.W.:
579.74

Type:
Small molecule

AlogP:
1.97

Polar Surface Area:
162.65

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3143517

Name:
2-amino-N-[(2R)-2-[(3-tert-butyl-4-hydroxyphenyl)methyl]-3,7,14-trioxo-1,4,Show More⌵

Mol. Formula:
C31H43N5O5

M.W.:
565.72

Type:
Small molecule

AlogP:
1.58

Polar Surface Area:
162.65

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

GM-109

Name:
2-Amino-N-[2-(3-tert-butyl-4-hydroxy-benzyl)-3,7,14-trioxo-1,4,8triaza-cyclShow More⌵

Mol. Formula:
C31H43N5O5

M.W.:
565.72

Type:
Small molecule

AlogP:
1.58

Polar Surface Area:
162.65

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA2371264

Name:
2-Amino-N-[6-(3-tert-butyl-4-hydroxy-benzyl)-2,5,8-trioxo-1,4,7triaza-cycloShow More⌵

Mol. Formula:
C30H41N5O5

M.W.:
551.69

Type:
Protein

AlogP:
1.19

Polar Surface Area:
162.65

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA2371260

Name:
2-Amino-N-[2-(4-hydroxy-benzyl)-3,7,14-trioxo-1,4,8triaza-cyclotetradec-13-Show More⌵

Mol. Formula:
C27H35N5O5

M.W.:
509.61

Type:
Small molecule

AlogP:
0.28

Polar Surface Area:
162.65

HBA:
6

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.33

DETAILS

mitemcinal

Name:
(2S,4R,5R,8R,9S,10S,11R,12S)-5-ethyl-11-((2S,3R,4S,6R)-3-hydroxy-4-(isopropShow More⌵

Mol. Formula:
C40H69NO12

M.W.:
755.99

2 activity values

Type:
Small molecule

AlogP:
4.53

Polar Surface Area:
151.68

HBA:
13

HBD:
2

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA1778155

Name:
(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7,10,12,13-tetrahydroxy-6-Show More⌵

Mol. Formula:
C40H75NO14

M.W.:
794.03

Type:
Small molecule

AlogP:
1.72

Polar Surface Area:
217.30

HBA:
15

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.17

DETAILS

ALA1778154

Name:
(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7,10,12,13-tetrahydroxy-6-Show More⌵

Mol. Formula:
C39H73NO14

M.W.:
780.01

Type:
Small molecule

AlogP:
1.33

Polar Surface Area:
217.30

HBA:
15

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA1778056

Name:
2-(((2S,3R,4S,6R)-2-((3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7,10,Show More⌵

Mol. Formula:
C39H72N2O14

M.W.:
793.00

Type:
Small molecule

AlogP:
0.69

Polar Surface Area:
226.17

HBA:
15

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA1778055

Name:
(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7,10,12,13-tetrahydroxy-6-Show More⌵

Mol. Formula:
C38H71NO14

M.W.:
765.98

Type:
Small molecule

AlogP:
0.94

Polar Surface Area:
217.30

HBA:
15

HBD:
7

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA1778054

Name:
(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-6-((2S,3R,4S,6R)-4-(cyclobutyl(methShow More⌵

Mol. Formula:
C40H73NO13

M.W.:
776.02

Type:
Small molecule

AlogP:
2.50

Polar Surface Area:
197.07

HBA:
14

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
8

Passes Ro3:
N

QED Weighted:
0.20

DETAILS

ALA1778053

Name:
2-((2R,3S,4R,5R,6S,7R,9R,10R,11S,12S,13R)-2-ethyl-3,4,9-trihydroxy-10-((2S,Show More⌵

Mol. Formula:
C43H80N2O13

M.W.:
833.11

Type:
Small molecule

AlogP:
3.50

Polar Surface Area:
186.15

HBA:
14

HBD:
4

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA1778052

Name:
2-((2R,3S,4R,5R,6S,7R,9R,10R,11S,12S,13R)-2-ethyl-3,4,9-trihydroxy-10-((2S,Show More⌵

Mol. Formula:
C42H78N2O13

M.W.:
819.09

5 activity values

Type:
Small molecule

AlogP:
3.16

Polar Surface Area:
194.94

HBA:
14

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA1778051

Name:
2-((2R,3S,4R,5R,6S,7R,9R,10R,11S,12S,13R)-2-ethyl-3,4,9-trihydroxy-10-((2S,Show More⌵

Mol. Formula:
C41H76N2O13

M.W.:
805.06

Type:
Small molecule

AlogP:
2.89

Polar Surface Area:
208.93

HBA:
14

HBD:
5

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.19

DETAILS

ALA1778050

Name:
(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-14-ethyl-7,10,12,13-tetrahydroxy-6-Show More⌵

Mol. Formula:
C40H75NO13

M.W.:
778.03