Compounds

ALA4573106

Name:
[(3R,9S,12S,18S,21S,24S,27S)-9,21-Dibenzyl-18-(3-guanidino-propyl)-24-methyShow More⌵

Mol. Formula:
C43H57N11O10

M.W.:
888.00

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-2.23

Polar Surface Area:
314.42

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4565835

Name:
(3R,9S,12S,15S,18S,21S,24S,27S,30S,33S)-30-(3-Guanidino-propyl)-27-((R)-1-hShow More⌵

Mol. Formula:
C45H75N13O13

M.W.:
1006.17

2 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4549799

Name:
[(5S,8S,14S,17S,23S,25aR)-24-(6-Acetylamino-hexyl)-14-(3-guanidino-propyl)-Show More⌵

Mol. Formula:
C42H72N12O11

M.W.:
921.11

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-2.09

Polar Surface Area:
343.52

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4545057

Name:
[(3R,9S,12S,15S,18S,21S,24S,27S,30S,33S)-21-(3-Guanidino-propyl)-18-((R)-1-Show More⌵

Mol. Formula:
C45H75N13O13

M.W.:
1006.17

2 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4540146

Name:
[(3R,9S,12S,18S,21S,24S,27S)-9-(4-Amino-butyl)-21-benzyl-18-(3-guanidino-prShow More⌵

Mol. Formula:
C40H60N12O10

M.W.:
868.99

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-3.35

Polar Surface Area:
340.44

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4531123

Name:
[(3R,9S,12S,15S,18S,21S,27S,30S,33S)-27-(3-Guanidino-propyl)-9,18-diisobutyShow More⌵

Mol. Formula:
C43H71N13O12

M.W.:
962.12

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-3.62

Polar Surface Area:
372.62

HBA:
12

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4528787

Name:
[(3R,9R,12S,18S,21S,24S,27S)-21-Benzyl-18-(3-guanidino-propyl)-9-isobutyl-2Show More⌵

Mol. Formula:
C40H59N11O10

M.W.:
853.98

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-2.43

Polar Surface Area:
314.42

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4525309

Name:
[(3R,9S,12S,15S,18S,24S,27S,30S,33S)-24-(3-Guanidino-propyl)-15,30-diisobutShow More⌵

Mol. Formula:
C43H71N13O12

M.W.:
962.12

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-3.62

Polar Surface Area:
372.62

HBA:
12

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4522900

Name:
[(3R,9S,12S,18S,21S,24S,27S)-21-Benzyl-18-(3-guanidino-propyl)-9-isopropyl-Show More⌵

Mol. Formula:
C39H57N11O10

M.W.:
839.95

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-2.82

Polar Surface Area:
314.42

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4515948

Name:
[(3R,9S,12S,18S,21R,24S,27S)-18-(3-Guanidino-propyl)-9-isobutyl-24-methyl-2Show More⌵

Mol. Formula:
C39H57N11O10

M.W.:
839.95

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-2.30

Polar Surface Area:
314.42

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4483075

Name:
[(3R,9S,12S,15S,18S,21S,24S,27S,30S,33S)-24-(3-Guanidino-propyl)-21-((R)-1-Show More⌵

Mol. Formula:
C45H75N13O13

M.W.:
1006.17

2 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4476257

Name:
[(3R,9S,12S,15R,18S,21S,24S,27S)-21-Benzyl-18-(3-guanidino-propyl)-15-((S)-Show More⌵

Mol. Formula:
C42H63N11O11

M.W.:
898.03

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-2.68

Polar Surface Area:
334.65

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4464220

Name:
((3R,9S,12S,18S,21S,27S)-18-{3-[N'-(6-Acetylamino-hexyl)-guanidino]-propyl}Show More⌵

Mol. Formula:
C44H74N12O11

M.W.:
947.15

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-1.69

Polar Surface Area:
329.53

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4456890

Name:
[(3R,9S,12S,15S,18S,21S,24S,27S,30S,33S)-27-(3-Guanidino-propyl)-24-((R)-1-Show More⌵

Mol. Formula:
C45H75N13O13

M.W.:
1006.17

2 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4455980

Name:
7-(3-(6-(4-((3S,6S,9R,12S)-9-benzyl-12-(carboxymethyl)-3-(3-guanidinopropylShow More⌵

Mol. Formula:
C48H67BF2N12O9

M.W.:
1004.95

3 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4452226

Name:
[(3R,9S,12S,15S,21S,24S,27S,30S,33S)-21-(3-Guanidino-propyl)-12,27-diisobutShow More⌵

Mol. Formula:
C43H71N13O12

M.W.:
962.12

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-3.62

Polar Surface Area:
372.62

HBA:
12

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4447615

Name:
[(3R,9S,12S,15S,18S,21S,24S,30S,33S)-30-(3-Guanidino-propyl)-12,21-diisobutShow More⌵

Mol. Formula:
C43H71N13O12

M.W.:
962.12

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-3.62

Polar Surface Area:
372.62

HBA:
12

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
10

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4436300

Name:
[(5S,8S,14S,17S,23S,25aR)-24-(4-Acetylamino-butyl)-14-(3-guanidino-propyl)-Show More⌵

Mol. Formula:
C40H68N12O11

M.W.:
893.06

2 activity values

2 unique targets

Type:
Unknown

AlogP:
-2.87

Polar Surface Area:
343.52

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.04

DETAILS