Compounds

ALA4556893

Name:
(3R,6S,9S,16S)-9-(4-aminobutyl)-3-(4-benzoylbenzyl
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Cas Number:
1774353-12-6

Mol. Formula:
C41H55N7O7

M.W.:
757.93

2 activity values

2 unique targets

Type:
Unknown

AlogP:
1.84

Polar Surface Area:
231.68

HBA:
8

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
11

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4216209

Name:
(4S,13S,16S,19S,22S)-19-((1H-indol-3-yl)methyl)-22
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Mol. Formula:
C74H107N19O19S

M.W.:
1598.85

4 activity values

3 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4215687

Name:
(5R,8S,11S,14S,17S,20S,23S)-23-amino-1-((R)-2-((S)
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Mol. Formula:
C80H115N19O19S

M.W.:
1678.98

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4211765

Name:
(S)-4-amino-5-((S)-1-((S)-1-((S)-1-((15S,20S,23S,2
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Mol. Formula:
C90H128N24O24S

M.W.:
1962.23

3 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4211248

Name:
(S)-4-acetamido-5-((S)-1-((S)-1-((S)-1-((9S,14S,17
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Mol. Formula:
C88H124N22O23S

M.W.:
1890.16

31 activity values

7 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4210721

Name:
(5R,8S,11S,14S,17S,20S,23S)-1,23-diamino-14-(4-hyd
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Mol. Formula:
C39H63N9O11S

M.W.:
866.05

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.66

Polar Surface Area:
330.34

HBA:
12

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4208342

Name:
(3S,6S,9S,12S,15S,18S)-18-((S)-1-((R)-1-((S)-2-((S
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Mol. Formula:
C59H90N14O13

M.W.:
1203.45

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4208119

Name:
(5S,8S,11S,14S,17S,20S,23S)-1-amino-23-((S)-1-((R)
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Mol. Formula:
C80H115N19O19S

M.W.:
1678.98

4 activity values

2 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4207403

Name:
(S)-4-amino-5-((S)-1-((S)-1-((S)-1-((15R,19R,22S,2
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Mol. Formula:
C89H127N23O23S2

M.W.:
1951.27

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4206878

Name:
(S)-4-amino-5-((S)-1-((S)-1-((S)-1-((9R,13R,16S,18
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Mol. Formula:
C85H121N21O21S2

M.W.:
1837.16

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4204003

Name:
(S)-5-((S)-1-((S)-1-((S)-1-amino-3-(4-hydroxypheny
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Mol. Formula:
C48H70N12O11

M.W.:
991.16

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
-1.41

Polar Surface Area:
374.66

HBA:
12

HBD:
12

#RO5 Violations:
3

#Rotatable Bonds:
26

Passes Ro3:
N

QED Weighted:
0.03

DETAILS

ALA4203477

Name:
(S)-4-amino-5-((S)-1-((S)-1-((S)-1-((R)-2-((S)-2-(
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Mol. Formula:
C64H87N15O15

M.W.:
1306.49

1 activity values

1 unique targets

Type:
Small molecule

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4203249

Name:
(3S,6S,9S,12S,15S,18S)-18-((S)-1-((R)-1-((S)-2-((S
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Mol. Formula:
C75H107N17O17

M.W.:
1518.78

1 activity values

1 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS

ALA4202518

Name:
(4S)-4-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(
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Mol. Formula:
C87H125N21O22S

M.W.:
1849.15

3 activity values

3 unique targets

Type:
Unknown

AlogP:
---

Polar Surface Area:
---

HBA:
---

HBD:
---

#RO5 Violations:
na

#Rotatable Bonds:
---

Passes Ro3:
---

QED Weighted:
---

DETAILS