Compounds

ALA4875095

Name:
5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-propyl-2H-chromene-6-carboxyliShow More⌵

Mol. Formula:
C20H26O4

M.W.:
330.42

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.95

Polar Surface Area:
66.76

HBA:
3

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
6

Passes Ro3:
N

QED Weighted:
0.72

DETAILS

ALA4856713

Name:
2-(3,7-dimethylocta-2,6-dienyl)-5-propylbenzene-1,3-diol

Mol. Formula:
C19H28O2

M.W.:
288.43

1 activity values

1 unique targets

Type:
Unknown

AlogP:
5.29

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
1

#Rotatable Bonds:
7

Passes Ro3:
N

QED Weighted:
0.67

DETAILS

ALA4855208

Name:
2-(3,7-dimethylocta-2,6-dienyl)-5-methylbenzene-1,3-diol

Mol. Formula:
C17H24O2

M.W.:
260.38

1 activity values

1 unique targets

Type:
Unknown

AlogP:
4.64

Polar Surface Area:
40.46

HBA:
2

HBD:
2

#RO5 Violations:
---

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.76

DETAILS

ALA4588165

Name:
(4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroShow More⌵

Mol. Formula:
C41H77N11O11

M.W.:
900.13

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-2.53

Polar Surface Area:
382.38

HBA:
13

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
33

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4582140

Name:
(5R,8S,11S,14S,17R)-5-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-aminopShow More⌵

Mol. Formula:
C51H88N12O10S2

M.W.:
1093.47

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4575384

Name:
(4S)-5-amino-4-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2Show More⌵

Mol. Formula:
C63H112N16O18

M.W.:
1381.68

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4568097

Name:
(S)-4-((S)-6-Amino-2-{(S)-2-[(2S,3R)-2-((S)-2-amino-propionylamino)-3-hydroShow More⌵

Mol. Formula:
C40H74N10O11

M.W.:
871.09

2 activity values

1 unique targets

Type:
Unknown

AlogP:
-1.86

Polar Surface Area:
356.36

HBA:
12

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
29

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4566089

Name:
(4S)-5-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]carbamShow More⌵

Mol. Formula:
C39H73N11O11

M.W.:
872.08

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-3.17

Polar Surface Area:
382.38

HBA:
13

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
31

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4565412

Name:
(4S)-5-[[(1S)-5-amino-1-[[(1S)-1-[(2-amino-2-oxo-ethyl)carbamoyl]-3-methyl-Show More⌵

Mol. Formula:
C38H71N11O11

M.W.:
858.05

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-3.56

Polar Surface Area:
382.38

HBA:
13

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
31

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4557180

Name:
(4R,7S,10S,13S,16R)-4-amino-13-(4-aminobutyl)-N-[(1S)-5-amino-1-[[(1S)-1-[[Show More⌵

Mol. Formula:
C46H75F4N11O9S2

M.W.:
1066.30

12 activity values

3 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4532326

Name:
(5R,8S,11S,14S,17R)-5-amino-14-(4-aminobutyl)-N-[(1S)-5-amino-1-[[(1S)-1-[[Show More⌵

Mol. Formula:
C48H83N11O9S2

M.W.:
1022.39

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4525659

Name:
3-[(5R,8S,11S,14S,17R)-11-(4-aminobutyl)-5-[[(2S)-2-aminopropanoyl]amino]-1Show More⌵

Mol. Formula:
C46H76N10O10S2

M.W.:
993.31

1 activity values

1 unique targets

Type:
Unknown

AlogP:
0.52

Polar Surface Area:
336.13

HBA:
13

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
20

Passes Ro3:
N

QED Weighted:
0.08

DETAILS

ALA4475220

Name:
(2S,5S,8S,11S,14S,17S,20S,23S)-23-amino-8-(3-amino-3-oxopropyl)-14-(4-aminoShow More⌵

Mol. Formula:
C40H72N10O13

M.W.:
901.07

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-2.80

Polar Surface Area:
393.66

HBA:
13

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
31

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4473989

Name:
(2S,5S,8S,14S)-2-amino-14-((S)-6-amino-1-((S)-1-((2S,3S)-1-amino-3-methyl-1Show More⌵

Mol. Formula:
C40H74N10O11

M.W.:
871.09

2 activity values

1 unique targets

Type:
Unknown

AlogP:
-1.86

Polar Surface Area:
356.36

HBA:
12

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
29

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4471310

Name:
(4S)-5-[[(1S)-5-amino-1-[[(1S)-1-[[(2S)-1-carbamoyl-2-methyl-butyl]carbamoyShow More⌵

Mol. Formula:
C50H83N11O12S2

M.W.:
1094.41

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4469021

Name:
(4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]proShow More⌵

Mol. Formula:
C41H77N11O10

M.W.:
884.13

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-1.51

Polar Surface Area:
362.15

HBA:
12

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
32

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4468125

Name:
(2S,5S,8S,11S,19S)-19-acetamido-8-(4-aminobutyl)-N-[(1S)-5-amino-1-[[(1S)-1Show More⌵

Mol. Formula:
C46H84N12O11

M.W.:
981.25

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-2.16

Polar Surface Area:
377.26

HBA:
13

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4466441

Name:
(S)-4-((S)-6-Amino-2-{(S)-2-[(2S,3R)-2-((S)-2-amino-propionylamino)-3-hydroShow More⌵

Mol. Formula:
C42H76N10O11

M.W.:
897.13

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-1.46

Polar Surface Area:
342.37

HBA:
12

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
24

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4462676

Name:
(4S)-5-[[(1S)-5-amino-1-[[(1S)-1-[[(1S,2S)-1-carbamoyl-2-methyl-butyl]carbaShow More⌵

Mol. Formula:
C39H72N10O11

M.W.:
857.06

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-2.25

Polar Surface Area:
356.36

HBA:
12

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
29

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4456997

Name:
(4S)-4-[[(2S)-6-amino-2-[[2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hyShow More⌵

Mol. Formula:
C38H71N11O11

M.W.:
858.05

1 activity values

1 unique targets

Type:
Unknown

AlogP:
-3.56

Polar Surface Area:
382.38

HBA:
13

HBD:
13

#RO5 Violations:
3

#Rotatable Bonds:
31

Passes Ro3:
N

QED Weighted:
0.03

DETAILS