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ALA4740892 Name:
Phenyl-epsilon-guanidinocaproate
Mol. Formula:
C13H19N3O2
M.W.:
249.31
Type:
Unknown
AlogP:
1.64
Polar Surface Area:
88.20
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4753151 Name:
2,6-Diamino-N-(6-methoxy-4-oxo-3-propyl-4H-chromen
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Mol. Formula:
C19H27N3O4
M.W.:
361.44
Type:
Unknown
AlogP:
2.15
Polar Surface Area:
120.58
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4797897 Name:
2,6-Diamino-N-(4-oxo-3-propyl-4H-chromen-7-yl)hexa
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Mol. Formula:
C18H25N3O3
M.W.:
331.42
Type:
Unknown
AlogP:
2.14
Polar Surface Area:
111.35
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4469483 Name:
H-Tyr-D-Arg-Phe-Phe-NH2
Mol. Formula:
C33H42N8O5
M.W.:
630.75
Type:
Unknown
AlogP:
-0.05
Polar Surface Area:
238.54
HBA:
7
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4749845 Name:
Hexyl-epsilon-guanidinocaproate
Mol. Formula:
C13H27N3O2
M.W.:
257.38
Type:
Unknown
AlogP:
2.15
Polar Surface Area:
88.20
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5207595 Name:
(S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-2-((R
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Mol. Formula:
C25H35N5O6
M.W.:
501.58
Type:
---
AlogP:
-0.14
Polar Surface Area:
201.02
HBA:
7
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5191864 Name:
Spiroidesin B
Mol. Formula:
C32H37N3O8
M.W.:
591.66
Type:
---
AlogP:
2.56
Polar Surface Area:
185.29
HBA:
7
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA5191296 Name:
Nostosin G
Mol. Formula:
C25H33N5O6
M.W.:
499.57
Type:
---
AlogP:
0.07
Polar Surface Area:
197.86
HBA:
7
HBD:
8
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4437757 Name:
4-Aminophenyl (4-guanidinophenyl)carbamate
Mol. Formula:
C14H15N5O2
M.W.:
285.31
Type:
Unknown
AlogP:
2.19
Polar Surface Area:
126.25
HBA:
4
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4292973 Name:
(S)-4-((S)-2-((S)-1-((S)-2-(4-(((S)-2-((S)-1-((2S,
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Mol. Formula:
C73H102N26O15S
M.W.:
1615.85
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4292287 Name:
(S)-4-((S)-2-((S)-1-((S)-2-(2-((S)-2-((S)-1-((2S,5
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Mol. Formula:
C71H101N25O16S
M.W.:
1592.82
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4287663 Name:
(S)-N-((S)-1-((S)-1-((S)-1-amino-3-(4-hydroxy-3-ni
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Mol. Formula:
C65H86N20O15
M.W.:
1387.53
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4279759 Name:
(S)-N-((S)-1-((S)-1-((S)-1-amino-3-(4-hydroxy-3-ni
Show More⌵
Mol. Formula:
C67H87N21O14
M.W.:
1410.57
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4176792 Name:
Jizanpeptin C
Mol. Formula:
C47H75BrN8O16S
M.W.:
1120.13
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4176442 Name:
Jizanpeptin A
Mol. Formula:
C46H73BrN8O16S
M.W.:
1106.10
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4173435 Name:
Jizanpeptin E
Mol. Formula:
C47H75BrN10O16S
M.W.:
1148.14
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4166165 Name:
Jizanpeptin B
Mol. Formula:
C47H75BrN8O16S
M.W.:
1120.13
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4162725 Name:
Jizanpeptin D
Mol. Formula:
C48H77BrN8O16S
M.W.:
1134.15
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4159349 Name:
Symplocamide A
Mol. Formula:
C46H71BrN10O13
M.W.:
1052.03
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3828410 Name:
N1,N2-bis(4-carbamimidoylphenyl)oxalamide
Mol. Formula:
C16H16N6O2
M.W.:
324.34
Type:
Small molecule
AlogP:
0.83
Polar Surface Area:
157.94
HBA:
4
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
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