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ALA1078918 Name:
Micropeptin 478-B
Mol. Formula:
C41H64ClN9O17S2
M.W.:
1054.60
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA1078917 Name:
Micropeptin 478-A
Mol. Formula:
C41H64ClN9O14S
M.W.:
974.53
Type:
Small molecule
AlogP:
-1.70
Polar Surface Area:
349.28
HBA:
15
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA4550948 Name:
NA
Mol. Formula:
C67H105N21O18S2
M.W.:
1556.84
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4550530 Name:
benzyl (S)-5-((1r,4S)-4-(aminomethyl)cyclohexaneca
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Mol. Formula:
C36H43N3O6
M.W.:
613.76
Type:
Unknown
AlogP:
5.21
Polar Surface Area:
136.82
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4524734 Name:
(S)-3-(3-(aminomethyl)phenyl)-N-(4-carbamimidoylbe
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Mol. Formula:
C38H40N6O4S
M.W.:
676.84
Type:
Unknown
AlogP:
3.66
Polar Surface Area:
180.26
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4541084 Name:
ethyl 5-(4-((S)-3-(4-(2H-tetrazol-5-yl)phenylamino
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Mol. Formula:
C33H38N8O4
M.W.:
610.72
Type:
Unknown
AlogP:
3.84
Polar Surface Area:
177.87
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4560508 Name:
(13S,16R)-N-(4-(Aminomethyl)benzyl)-3,9,15-trioxo-
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Mol. Formula:
C48H53F9N8O12S
M.W.:
1137.05
Type:
Unknown
AlogP:
2.37
Polar Surface Area:
195.07
HBA:
9
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4558203 Name:
NA
Mol. Formula:
C72H107N23O18S2
M.W.:
1646.93
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4553652 Name:
(13S,16R)-N-(4-(Aminomethyl)benzyl)-16-((N-cyclohe
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Mol. Formula:
C48H60F9N9O12S
M.W.:
1158.11
Type:
Unknown
AlogP:
2.15
Polar Surface Area:
207.10
HBA:
9
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4539788 Name:
(1r,4S)-4-(aminomethyl)-N-((S)-3-(2'-methyl-4'-(py
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Mol. Formula:
C35H42N6O5S
M.W.:
658.82
Type:
Unknown
AlogP:
4.05
Polar Surface Area:
170.25
HBA:
6
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4089856 Name:
Sodium 4-Oxo-5-((4-(((4-oxo-7-(sulfonatooxy)-2-(4-
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Mol. Formula:
C38H22Na4O22S4
M.W.:
1050.80
Type:
Small molecule
AlogP:
5.12
Polar Surface Area:
333.28
HBA:
18
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4526664 Name:
rac-(2S)-2-(3-(3-((S)-2-(benzyloxycarbonylamino)-3
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Mol. Formula:
C39H41N5O7
M.W.:
691.79
Type:
Unknown
AlogP:
4.93
Polar Surface Area:
182.48
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4483688 Name:
NA
Mol. Formula:
C72H107N21O18S2
M.W.:
1618.91
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4476141 Name:
NA
Mol. Formula:
C48H52F9N9O12S
M.W.:
1150.04
Type:
Unknown
AlogP:
2.19
Polar Surface Area:
218.92
HBA:
9
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4475211 Name:
7-(4-((S)-2-((1r,4S)-4-(aminomethyl)cyclohexanecar
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Mol. Formula:
C36H38ClN5O6
M.W.:
672.18
Type:
Unknown
AlogP:
4.65
Polar Surface Area:
183.48
HBA:
6
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4474476 Name:
(S)-6-amino-N-(4-benzoylphenyl)-2-(4-methylphenyls
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Mol. Formula:
C26H29N3O4S
M.W.:
479.60
Type:
Unknown
AlogP:
3.64
Polar Surface Area:
118.36
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4544648 Name:
(S)-6-amino-2-((S)-2-((2R,3R)-2-amino-3-methylpent
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Mol. Formula:
C34H43N5O4
M.W.:
585.75
Type:
Unknown
AlogP:
3.57
Polar Surface Area:
156.41
HBA:
6
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4521828 Name:
(S)-6-amino-2-(4-methylphenylsulfonamido)-N-(4-nit
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Mol. Formula:
C19H24N4O5S
M.W.:
420.49
Type:
Unknown
AlogP:
2.32
Polar Surface Area:
144.43
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4088333 Name:
Sodium 4-Oxo-5-(3-((4-oxo-7-(sulfonatooxy)-2-(4-(s
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Mol. Formula:
C33H20Na4O22S4
M.W.:
988.73
Type:
Small molecule
AlogP:
3.81
Polar Surface Area:
333.28
HBA:
18
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4088109 Name:
Sodium 4-(4-Oxo-5-((4-(((4-oxo-7-(sulfonatooxy)-2-
Show More⌵
Mol. Formula:
C38H20Na6O30S6
M.W.:
1286.89
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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