Compounds

Type:
Unknown

AlogP:
-3.38

Polar Surface Area:
472.95

HBA:
13

HBD:
19

#RO5 Violations:
3

#Rotatable Bonds:
33

Passes Ro3:
N

QED Weighted:
0.02

DETAILS

ALA4874850

Name:
(6S,9S,12S,15S,18S)-9-((1H-indol-3-yl)methyl)-1-amino-6-((S)-1-amino-3-(4-hShow More⌵

Mol. Formula:
C55H79N19O12

M.W.:
1198.36

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4874445

Name:
(15S,18S,21S)-N-((S)-1-((S)-1-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-Show More⌵

Mol. Formula:
C55H77N19O11

M.W.:
1180.34

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4873376

Name:
(9S,12S,15S)-N-((S)-1-((S)-1-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2Show More⌵

Mol. Formula:
C51H80N18O11

M.W.:
1121.32

29 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4870168

Name:
(13S,16S,19S)-16-((1H-indol-3-yl)methyl)-1-amino-13-((S)-1-((S)-1-((S)-1-amShow More⌵

Mol. Formula:
C53H83N19O11

M.W.:
1162.37

28 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4868787

Name:
(12S,15S,18S,21S,24S)-1-amino-12-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropShow More⌵

Mol. Formula:
C50H80N18O12

M.W.:
1125.30

16 activity values

4 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4866955

Name:
(5R,8S,11S)-N-((S)-1-((S)-1-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-Show More⌵

Mol. Formula:
C39H65N17O9

M.W.:
916.06

16 activity values

4 unique targets

Type:
Unknown

AlogP:
-5.32

Polar Surface Area:
452.72

HBA:
12

HBD:
18

#RO5 Violations:
3

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4866086

Name:
(9S,12S)-N-((S)-1-((S)-1-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-ylaShow More⌵

Mol. Formula:
C42H71N17O9

M.W.:
958.14

Type:
Unknown

AlogP:
-3.29

Polar Surface Area:
438.73

HBA:
12

HBD:
18

#RO5 Violations:
3

#Rotatable Bonds:
19

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4865048

Name:
(13S,16S,19S)-1-amino-13-((S)-1-((S)-1-((S)-1-amino-3-(4-hydroxyphenyl)-1-oShow More⌵

Mol. Formula:
C51H82N18O12

M.W.:
1139.33

28 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4863955

Name:
(13R,16R,19R)-1-amino-13-((R)-1-((R)-1-((R)-1-amino-3-(4-hydroxyphenyl)-1-oShow More⌵

Mol. Formula:
C56H81N19O12

M.W.:
1212.38

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4863428

Name:
(S)-2-acetamido-N-((S)-1-((12S,15S,18S,21S,E)-2-amino-15-(3-guanidinopropylShow More⌵

Mol. Formula:
C49H77N17O10

M.W.:
1064.26

2 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4862140

Name:
(13S,16S,19S)-1-amino-13-((S)-1-((S)-1-((S)-1-amino-3-(4-hydroxyphenyl)-1-oShow More⌵

Mol. Formula:
C51H82N16O12

M.W.:
1111.32

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4861544

Name:
(15S,18S,21S,24S,27S)-N-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-Show More⌵

Mol. Formula:
C50H78N18O11

M.W.:
1107.29

16 activity values

4 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4860290

Name:
(6S,9S,12S,15S,18S)-1-amino-6-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-Show More⌵

Mol. Formula:
C50H80N18O12

M.W.:
1125.30

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4858915

Name:
(2S,8S,11S)-N-((6S,9S,12S)-1,17-diamino-6-((S)-1-amino-3-(4-hydroxyphenyl)-Show More⌵

Mol. Formula:
C49H76N18O11

M.W.:
1093.26

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4857577

Name:
(15S,18S,21S)-N-((S)-1-((S)-1-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-Show More⌵

Mol. Formula:
C50H78N18O11

M.W.:
1107.29

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4856311

Name:
(9S,12S,15S)-12-((1H-indol-3-yl)methyl)-N-((S)-1-((S)-1-((S)-1-amino-3-(4-hShow More⌵

Mol. Formula:
C53H81N19O10

M.W.:
1144.35

29 activity values

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4852799

Name:
(9S,12S,15S)-N-((S)-1-((S)-1-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2Show More⌵

Mol. Formula:
C56H79N19O11

M.W.:
1194.37

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4852354

Name:
(5R,8S,11S)-N-((S)-1-((S)-1-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-Show More⌵

Mol. Formula:
C40H67N17O9

M.W.:
930.09

Type:
Unknown

AlogP:
-4.93

Polar Surface Area:
452.72

HBA:
12

HBD:
18

#RO5 Violations:
3

#Rotatable Bonds:
23

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4848958

Name:
(9S,12S,15S)-N-((S)-1-((S)-1-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2Show More⌵

Mol. Formula:
C51H80N16O11

M.W.:
1093.30