Compounds

Type:
Unknown

AlogP:
-0.05

Polar Surface Area:
355.92

HBA:
10

HBD:
12

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA4759601

Name:
(2S)-2-[[(2S)-5-guanidino-2-[[(2S)-1-[(2S)-5-guanidino-2-[[(2S)-2-methyl-2-Show More⌵

Mol. Formula:
C52H69N15O8

M.W.:
1032.22

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4757331

Name:
(2S)-2-[[(2S)-5-guanidino-2-[[(2S)-1-[(2S)-5-guanidino-2-[[(3S)-2-[2-(2-napShow More⌵

Mol. Formula:
C43H57N13O8

M.W.:
884.01

6 activity values

4 unique targets

Type:
Unknown

AlogP:
-1.50

Polar Surface Area:
347.13

HBA:
10

HBD:
11

#RO5 Violations:
2

#Rotatable Bonds:
21

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4649852

Name:
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-(3-cyclohexylproShow More⌵

Mol. Formula:
C40H70N12O9

M.W.:
863.07

Type:
Unknown

AlogP:
-1.65

Polar Surface Area:
356.98

HBA:
10

HBD:
11

#RO5 Violations:
2

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4649369

Name:
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(3-cyclohexylpropanoylamShow More⌵

Mol. Formula:
C40H71N11O9

M.W.:
850.08

Type:
Unknown

AlogP:
-1.14

Polar Surface Area:
334.12

HBA:
10

HBD:
11

#RO5 Violations:
2

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4648244

Name:
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-(3-cyclohexylpropanoyShow More⌵

Mol. Formula:
C40H71N11O9

M.W.:
850.08

Type:
Unknown

AlogP:
-1.14

Polar Surface Area:
334.12

HBA:
10

HBD:
11

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4641457

Name:
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(3-cyclohexylpropanoylamShow More⌵

Mol. Formula:
C39H69N11O9

M.W.:
836.05

Type:
Unknown

AlogP:
-1.53

Polar Surface Area:
334.12

HBA:
10

HBD:
11

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4637099

Name:
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-(3-cyclohexylpropanoyShow More⌵

Mol. Formula:
C40H71N11O9

M.W.:
850.08

Type:
Unknown

AlogP:
-1.14

Polar Surface Area:
334.12

HBA:
10

HBD:
11

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4635327

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

Mol. Formula:
C40H69N11O10

M.W.:
864.06

Type:
Unknown

AlogP:
-1.05

Polar Surface Area:
351.19

HBA:
10

HBD:
11

#RO5 Violations:
2

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4635185

Name:
(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-(3-cyclohexylpropanoylamShow More⌵

Mol. Formula:
C39H69N11O8S

M.W.:
852.12

Type:
Unknown

AlogP:
-0.59

Polar Surface Area:
313.89

HBA:
10

HBD:
11

#RO5 Violations:
2

#Rotatable Bonds:
25

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA4634097

Name:
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(3-cyclohexylpropanoylamShow More⌵

Mol. Formula:
C40H71N11O9

M.W.:
850.08

Type:
Unknown

AlogP:
-0.88

Polar Surface Area:
323.12

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4299273

Name:
(S)-2-((S)-2-((S)-1-((6S,9S,12S,15S)-1-amino-9,15-dibenzyl-26-hexadecyl-1-iShow More⌵

Mol. Formula:
C87H151N17O10

M.W.:
1595.27

20 activity values

4 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4299263

Name:
NA

Mol. Formula:
C88H141N19O12S3

M.W.:
1753.42

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4299255

Name:
NA

Mol. Formula:
C92H147N19O12S3

M.W.:
1807.51

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4299250

Name:
(S)-N1-(1-amino-2-methyl-1-oxopropan-2-yl)-2-((S)-2-((S)-1-((6S,9S,12S,15S)Show More⌵

Mol. Formula:
C96H166N18O24

M.W.:
1956.49

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4299249

Name:
NA

Mol. Formula:
C93H143N19O12S3

M.W.:
1815.49

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4299248

Name:
(S)-2-((S)-2-((S)-1-((6S,9S,12S,15S)-1-amino-9,15-dibenzyl-1-imino-12-isobuShow More⌵

Mol. Formula:
C67H110N16O10

M.W.:
1299.72

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4299242

Name:
(S)-2-((S)-2-((S)-1-((6S,9S,12S,15S)-1-amino-9,15-dibenzyl-1-imino-12-isobuShow More⌵

Mol. Formula:
C92H159N17O23

M.W.:
1871.38

5 activity values

3 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4299240

Name:
(S)-2-((S)-2-((S)-1-((6S,9S,12S,15S)-1-amino-9,15-dibenzyl-1-imino-12-isobuShow More⌵

Mol. Formula:
C67H110N16O10

M.W.:
1299.72