Compounds

Type:
Unknown

AlogP:
-1.69

Polar Surface Area:
255.69

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4540411

Name:
(S)-2-((S)-2-acetamido-5-guanidinopentanamido)-N1-
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Mol. Formula:
C32H42IN9O6

M.W.:
775.65

Type:
Unknown

AlogP:
-0.72

Polar Surface Area:
255.69

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4539621

Name:
(S)-2-((R)-2-((S)-2-((S)-2-acetamido-5-guanidinope
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Mol. Formula:
C33H46ClN11O5

M.W.:
712.26

Type:
Unknown

AlogP:
-0.68

Polar Surface Area:
274.50

HBA:
7

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4539175

Name:
(S)-2-((S)-2-acetamido-3-(1H-imidazol-5-yl)propana
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Mol. Formula:
C31H43ClN8O6

M.W.:
659.19

Type:
Unknown

AlogP:
0.53

Polar Surface Area:
231.26

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.13

DETAILS

ALA4538225

Name:
(S)-2-((S)-2-acetamido-3-(1H-imidazol-5-yl)propana
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Mol. Formula:
C32H37IN8O6

M.W.:
756.60

Type:
Unknown

AlogP:
-0.02

Polar Surface Area:
222.47

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.12

DETAILS

ALA4538209

Name:
(S)-2-((S)-2-acetamido-3-methylbutanamido)-N1-((R)
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Mol. Formula:
C31H39ClN6O6

M.W.:
627.14

Type:
Unknown

AlogP:
0.72

Polar Surface Area:
193.79

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA4536340

Name:
(S)-2-((S)-2-acetamido-3-(1H-imidazol-5-yl)propana
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Mol. Formula:
C32H37ClN8O6

M.W.:
665.15

Type:
Unknown

AlogP:
0.03

Polar Surface Area:
222.47

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4524668

Name:
(S)-2-((S)-2-acetamido-3-(1H-imidazol-5-yl)propana
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Mol. Formula:
C32H37ClN8O6

M.W.:
665.15

Type:
Unknown

AlogP:
0.03

Polar Surface Area:
222.47

HBA:
7

HBD:
6

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.14

DETAILS

ALA4522298

Name:
(R)-2-((R)-2-((S)-2-((S)-2-acetamido-5-guanidinope
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Mol. Formula:
C33H46IN11O5

M.W.:
803.71

Type:
Unknown

AlogP:
-0.73

Polar Surface Area:
274.50

HBA:
7

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4520119

Name:
(S)-2-((S)-2-acetamido-3-methylbutanamido)-N-((R)-
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Mol. Formula:
C31H49IN8O5

M.W.:
740.69

Type:
Unknown

AlogP:
1.17

Polar Surface Area:
221.39

HBA:
6

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.05

DETAILS

ALA4519837

Name:
(S)-2-((R)-2-((S)-2-((S)-2-acetamido-3-methylbutan
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Mol. Formula:
C32H43ClN8O5

M.W.:
655.20

9 activity values

Type:
Unknown

AlogP:
0.71

Polar Surface Area:
212.60

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4535510

Name:
(R)-1-((R)-2-((S)-2-((S)-2-acetamido-5-guanidinope
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Mol. Formula:
C28H44IN11O5

M.W.:
741.64

Type:
Unknown

AlogP:
-1.69

Polar Surface Area:
274.50

HBA:
7

HBD:
10

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.04

DETAILS

ALA4533593

Name:
(S)-2-((S)-2-acetamido-3-(1H-imidazol-5-yl)propana
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Mol. Formula:
C31H43IN8O6

M.W.:
750.64

Type:
Unknown

AlogP:
0.48

Polar Surface Area:
231.26

HBA:
7

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.11

DETAILS

ALA4561005

Name:
(S)-2-((S)-2-acetamido-3-methylbutanamido)-N1-((R)
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Mol. Formula:
C26H37IN6O6

M.W.:
656.52

Type:
Unknown

AlogP:
-0.29

Polar Surface Area:
193.79

HBA:
6

HBD:
5

#RO5 Violations:
1

#Rotatable Bonds:
13

Passes Ro3:
N

QED Weighted:
0.18

DETAILS

ALA4557656

Name:
(S)-2-((S)-2-acetamido-5-guanidinopentanamido)-N1-
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Mol. Formula:
C27H40ClN9O6

M.W.:
622.13

Type:
Unknown

AlogP:
-1.64

Polar Surface Area:
255.69

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4556149

Name:
(S)-2-((R)-2-((S)-2-((S)-2-acetamido-3-(1H-imidazo
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Mol. Formula:
C33H41ClN10O5

M.W.:
693.21

Type:
Unknown

AlogP:
0.02

Polar Surface Area:
241.28

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
15

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4555150

Name:
(R)-1-((R)-2-((S)-2-((S)-2-acetamido-3-methylbutan
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Mol. Formula:
C27H41ClN8O5

M.W.:
593.13

Type:
Unknown

AlogP:
-0.25

Polar Surface Area:
212.60

HBA:
6

HBD:
7

#RO5 Violations:
2

#Rotatable Bonds:
14

Passes Ro3:
N

QED Weighted:
0.09

DETAILS

ALA4554828

Name:
(S)-2-((S)-2-acetamido-5-guanidinopentanamido)-N1-
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Mol. Formula:
C32H42ClN9O6

M.W.:
684.20

Type:
Unknown

AlogP:
-0.68

Polar Surface Area:
255.69

HBA:
7

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
16

Passes Ro3:
N

QED Weighted:
0.06

DETAILS

ALA4552764

Name:
(S)-2-((S)-2-acetamido-3-methylbutanamido)-N-((R)-
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Mol. Formula:
C31H49ClN8O5

M.W.:
649.24

Type:
Unknown

AlogP:
1.22

Polar Surface Area:
221.39

HBA:
6

HBD:
8

#RO5 Violations:
2

#Rotatable Bonds:
17

Passes Ro3:
N

QED Weighted:
0.07

DETAILS

ALA4571760

Name:
(S)-2-((S)-2-acetamido-3-(1H-imidazol-5-yl)propana
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Mol. Formula:
C27H35IN8O6

M.W.:
694.53