Compounds

Type:
Small molecule

AlogP:
0.56

Polar Surface Area:
277.12

HBA:
9

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4087835

Name:
c[Pro-Arg-Phe-Phe-Asn-Leu-Phe-DPro]

Mol. Formula:
C53H70N12O9

M.W.:
1019.22

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4086679

Name:
c[Pro-Arg-Phe-Phe-Nle-Ala-Phe-DPro]

Mol. Formula:
C52H69N11O8

M.W.:
976.19

Type:
Small molecule

AlogP:
1.09

Polar Surface Area:
277.12

HBA:
9

HBD:
9

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4067947

Name:
c[Pro-Arg-Phe-Phe-Trp-Ala-Phe-DPro]

Mol. Formula:
C57H68N12O8

M.W.:
1049.25

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4176668

Name:
2-((6S,9S,12S,15S,18S,21S,23aS,28aR)-6,18-dibenzyl
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Mol. Formula:
C51H66N12O10

M.W.:
1007.16

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4175108

Name:
1,-(3,3'-((6S,9S,12S,15S,18S,21S,23aS,28aR)-6,18-d
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Mol. Formula:
C53H72N14O8

M.W.:
1033.25

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4174761

Name:
1-(3-((6S,9S,12S,15S,18S,21S,23aS,28aR)-12-(aminom
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Mol. Formula:
C50H66N12O9

M.W.:
979.15

Type:
Small molecule

AlogP:
-1.78

Polar Surface Area:
323.37

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4174361

Name:
2-((6S,9S,12S,15S,18S,21S,23aS,28aR)-18-benzyl-6-b
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Mol. Formula:
C48H68N12O9

M.W.:
957.15

Type:
Small molecule

AlogP:
-0.88

Polar Surface Area:
320.21

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4173301

Name:
1-(3-((6S,9S,12S,15S,18S,21S,23aS,28aR)-12-(aminom
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Mol. Formula:
C50H66N12O8

M.W.:
963.15

Type:
Small molecule

AlogP:
-0.75

Polar Surface Area:
303.14

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4172753

Name:
1-(3-((6S,9S,12S,15S,18S,21S,23aS,28aR)-12-(aminom
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Mol. Formula:
C49H64N12O9

M.W.:
965.13

Type:
Small molecule

AlogP:
-2.17

Polar Surface Area:
323.37

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4171666

Name:
1,-(3,3'-((6S,9S,12S,15S,18S,21S,23aS,28aR)-6,18-d
Show More⌵

Mol. Formula:
C53H72N14O9

M.W.:
1049.25

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4170160

Name:
1-(3-((6S,9S,12S,15S,18S,21S,23aS,28aR)-12-(aminom
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Mol. Formula:
C46H66N12O8

M.W.:
915.11

Type:
Small molecule

AlogP:
-1.19

Polar Surface Area:
303.14

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
12

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4169872

Name:
1,-(3,3'-((6S,9S,12S,15S,18S,21S,23aS,28aR)-15,18-
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Mol. Formula:
C49H72N14O8

M.W.:
985.20

Type:
Small molecule

AlogP:
-0.89

Polar Surface Area:
339.02

HBA:
10

HBD:
12

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4167239

Name:
1,-(3,3'-((6S,9S,12S,15S,18S,21S,23aS,28aR)-18-ben
Show More⌵

Mol. Formula:
C50H74N14O8

M.W.:
999.23

Type:
Small molecule

AlogP:
-0.50

Polar Surface Area:
339.02

HBA:
10

HBD:
12

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4166449

Name:
1,-(3,3'-((6S,9S,12S,15S,18S,21S,23aS,28aR)-15,18-
Show More⌵

Mol. Formula:
C49H72N14O9

M.W.:
1001.20

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4164846

Name:
1-(3-((6S,9S,12S,15S,18S,21S,23aS,28aR)-12-(aminom
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Mol. Formula:
C46H66N12O9

M.W.:
931.11

Type:
Small molecule

AlogP:
-2.22

Polar Surface Area:
323.37

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4164111

Name:
1-(3-((6S,9S,12S,15S,18S,21S,23aS,28aR)-12-(aminom
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Mol. Formula:
C47H68N12O9

M.W.:
945.14

10 activity values

Type:
Small molecule

AlogP:
-1.83

Polar Surface Area:
323.37

HBA:
11

HBD:
11

#RO5 Violations:
3

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4163787

Name:
1,-(3,3'-((6S,9S,12S,15S,18S,21S,23aS,28aR)-18-ben
Show More⌵

Mol. Formula:
C50H74N14O9

M.W.:
1015.23

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4162603

Name:
1-(3-((6S,9S,12S,15S,18S,21S,23aS,28aR)-12-(aminom
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Mol. Formula:
C47H68N12O8

M.W.:
929.14

Type:
Small molecule

AlogP:
-0.80

Polar Surface Area:
303.14

HBA:
10

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4159541

Name:
2-((6S,9S,12S,15S,18S,21S,23aS,28aR)-15,18-dibenzy
Show More⌵

Mol. Formula:
C47H66N12O10

M.W.:
959.12