Compounds

ALA1835404

Name:
R/S-(S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-{(S)-1-[7-bromo-1-((SShow More⌵

Mol. Formula:
C30H40BrN5O10

M.W.:
710.58

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.11

Polar Surface Area:
220.54

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA1835403

Name:
R/S-(S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-{(S)-1-[6-bromo-1-((SShow More⌵

Mol. Formula:
C30H40BrN5O10

M.W.:
710.58

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.11

Polar Surface Area:
220.54

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA1835402

Name:
R/S-(S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-{(S)-1-[7-hydroxy-1-(Show More⌵

Mol. Formula:
C30H41N5O11

M.W.:
647.68

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.17

Polar Surface Area:
240.77

HBA:
10

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA1835401

Name:
R/S-(S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-{(S)-1-[6-hydroxy-1-(Show More⌵

Mol. Formula:
C30H41N5O11

M.W.:
647.68

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.17

Polar Surface Area:
240.77

HBA:
10

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA1835400

Name:
R/S-(S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-{(S)-1-[1-((S)-2-hydrShow More⌵

Mol. Formula:
C32H45N5O12

M.W.:
691.74

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.86

Polar Surface Area:
239.00

HBA:
11

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA1835399

Name:
R/S-(S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-{(S)-1-[1-((S)-2-hydrShow More⌵

Mol. Formula:
C31H43N5O10

M.W.:
645.71

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.57

Polar Surface Area:
220.54

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA1835325

Name:
R/S-(S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-{(S)-1-[1-((S)-2-hydrShow More⌵

Mol. Formula:
C31H43N5O10

M.W.:
645.71

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.57

Polar Surface Area:
220.54

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA1835324

Name:
(S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-{(S)-1-[(S)-1-((S)-2-hydrShow More⌵

Mol. Formula:
C30H41N5O10

M.W.:
631.68

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.88

Polar Surface Area:
220.54

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA1835323

Name:
(3S)-3-((S)-2-acetamido-3-methylbutanamido)-4-((2S)-1-((2S,3S)-2-((3S)-2-hyShow More⌵

Mol. Formula:
C29H47N5O11

M.W.:
641.72

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.22

Polar Surface Area:
229.77

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA1835322

Name:
(S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-{(S)-1-[(S)-2-((S)-2-hydrShow More⌵

Mol. Formula:
C26H41N5O10

M.W.:
583.64

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.62

Polar Surface Area:
220.54

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA1835321

Name:
(S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-{(S)-1-[1-((S)-2-hydroxy-Show More⌵

Mol. Formula:
C29H39N5O10

M.W.:
617.66

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.92

Polar Surface Area:
220.54

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.16

DETAILS

ALA1835320

Name:
(S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-{(S)-1-[(2S,3R)-3-cycloheShow More⌵

Mol. Formula:
C31H49N5O10

M.W.:
651.76

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.21

Polar Surface Area:
220.54

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA1835319

Name:
(S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-{(S)-1-[(2S,3R)-2-((S)-2-Show More⌵

Mol. Formula:
C32H45N5O10

M.W.:
659.74

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.31

Polar Surface Area:
220.54

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA1835318

Name:
(S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-{(S)-1-[(2S,3R)-2-((S)-2-Show More⌵

Mol. Formula:
C31H43N5O10

M.W.:
645.71

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.62

Polar Surface Area:
220.54

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.15

DETAILS

ALA1835317

Name:
(S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-{(S)-1-[(2S,3S)-3-(2,2-diShow More⌵

Mol. Formula:
C30H49N5O10

M.W.:
639.75

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-0.35

Polar Surface Area:
220.54

HBA:
9

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA1835316

Name:
(S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-{(S)-1-[(2S,3S)-2-((S)-2-Show More⌵

Mol. Formula:
C29H41N7O11

M.W.:
663.69

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-2.16

Polar Surface Area:
255.55

HBA:
12

HBD:
6

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA1835315

Name:
(S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-{(S)-1-[(2S,3S)-3-cyclopeShow More⌵

Mol. Formula:
C30H47N5O11

M.W.:
653.73

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.07

Polar Surface Area:
229.77

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA1835314

Name:
(S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-{(S)-1-[(2S,3S)-2-((S)-2-Show More⌵

Mol. Formula:
C29H47N5O11

M.W.:
641.72

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.36

Polar Surface Area:
229.77

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA1835313

Name:
(S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-{(S)-1-[(2S,3S)-3-se-butoShow More⌵

Mol. Formula:
C29H47N5O11

M.W.:
641.72

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.22

Polar Surface Area:
229.77

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA1835212

Name:
(S)-3-((S)-2-Acetylamino-3-methyl-butyrylamino)-N-{(S)-1-[(2S,3S)-2-((S)-2-Show More⌵

Mol. Formula:
C28H45N5O11

M.W.:
627.69

6 activity values

3 unique targets

Type:
Small molecule

AlogP:
-1.61

Polar Surface Area:
229.77

HBA:
10

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS