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ALA3337655 Name:
(S)-2-Amino-3-(2-(2-carboxyethyl)-4-(3-ethylureido
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Mol. Formula:
C15H21N3O5
M.W.:
323.35
Type:
Small molecule
AlogP:
0.80
Polar Surface Area:
141.75
HBA:
4
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3337654 Name:
(S)-2-Amino-3-(2-(2-carboxyethyl)-4-(phenylsulfona
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Mol. Formula:
C18H20N2O6S
M.W.:
392.43
Type:
Small molecule
AlogP:
1.46
Polar Surface Area:
146.79
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA2178919 Name:
(S)-2-(2-(1H-Indol-3-yl)acetamido)-N1-(5-(3-(4-(3-
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Cas Number:
114355-41-8
Mol. Formula:
C29H48N8O4
M.W.:
572.76
Type:
Small molecule
AlogP:
0.17
Polar Surface Area:
196.26
HBA:
7
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA2178918 Name:
(S)-N1-((6S,12S)-1,6-Diamino-1-imino-12-methyl-7,1
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Mol. Formula:
C35H60N12O9
M.W.:
792.94
Type:
Small molecule
AlogP:
-3.51
Polar Surface Area:
358.10
HBA:
12
HBD:
14
#RO5 Violations:
3
#Rotatable Bonds:
29
Passes Ro3:
N
QED Weighted:
0.02
DETAILS
CLOSE
ALA2178917 Name:
(S)-N1-((S)-1,6-diamino-1-imino-7,16-dioxo-2,8,13,
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Cas Number:
107288-22-2
Mol. Formula:
C30H52N10O7
M.W.:
664.81
Type:
Small molecule
AlogP:
-2.13
Polar Surface Area:
299.90
HBA:
10
HBD:
12
#RO5 Violations:
2
#Rotatable Bonds:
25
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA596017 Name:
(RS)-5'-(2-Amino-2-carboxyethyl)-2',3'-dichlorobip
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Mol. Formula:
C16H13Cl2NO4
M.W.:
354.19
Type:
Small molecule
AlogP:
3.31
Polar Surface Area:
100.62
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA602590 Name:
(RS)-2-Amino-3-(30-(carboxymethyl)biphenyl-3-yl)pr
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Mol. Formula:
C17H17NO4
M.W.:
299.33
Type:
Small molecule
AlogP:
1.94
Polar Surface Area:
100.62
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA609876 Name:
(RS)-3'-(2-Amino-2-carboxyethyl)biphenyl-3-carboxy
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Mol. Formula:
C16H15NO4
M.W.:
285.30
Type:
Small molecule
AlogP:
2.01
Polar Surface Area:
100.62
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA594637 Name:
(R)-30-(2-Amino-2-carboxyethyl)biphenyl-3-carboxyl
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Mol. Formula:
C16H15NO4
M.W.:
285.30
Type:
Small molecule
AlogP:
2.01
Polar Surface Area:
100.62
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA594636 Name:
(S)-30-(2-Amino-2-carboxyethyl)biphenyl-3-carboxyl
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Mol. Formula:
C16H15NO4
M.W.:
285.30
Type:
Small molecule
AlogP:
2.01
Polar Surface Area:
100.62
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA608107 Name:
(RS)-4-(3-(2-Amino-2-carboxyethyl)benzyl)benzoic a
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Mol. Formula:
C17H17NO4
M.W.:
299.33
Type:
Small molecule
AlogP:
1.93
Polar Surface Area:
100.62
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA594842 Name:
(RS)-2-(3-(2-Amino-2-carboxyethyl)benzyl)benzoic a
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Mol. Formula:
C17H17NO4
M.W.:
299.33
Type:
Small molecule
AlogP:
1.93
Polar Surface Area:
100.62
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA594617 Name:
(RS)-2-Amino-3-(5,6-dichloro-3'-(1H-tetrazol-5-yl)
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Mol. Formula:
C16H13Cl2N5O2
M.W.:
378.22
Type:
Small molecule
AlogP:
2.79
Polar Surface Area:
117.78
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA594840 Name:
(S)-2-amino-3-[5-tertbutyl-3-(phosphono-methoxy)-4
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Mol. Formula:
C11H19N2O7P
M.W.:
322.25
Type:
Small molecule
AlogP:
0.44
Polar Surface Area:
156.11
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA220509 Name:
(S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxyfuran-3
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Mol. Formula:
C14H15N3O7
M.W.:
337.29
Type:
Small molecule
AlogP:
-0.93
Polar Surface Area:
157.76
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA220822 Name:
(S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxy-4,5-di
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Cas Number:
936095-51-1
Mol. Formula:
C14H13Br2N3O6S
M.W.:
511.15
Type:
Small molecule
AlogP:
1.06
Polar Surface Area:
144.62
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA221321 Name:
(S)-1-(2-amino-2-carboxyethyl)-5-bromo-3-(2-carbox
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Mol. Formula:
C13H12BrN3O6S
M.W.:
418.23
Type:
Small molecule
AlogP:
-0.01
Polar Surface Area:
144.62
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA374553 Name:
(S)-1-(2-amino-2-carboxyethyl)-5-bromo-3-(2-carbox
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Mol. Formula:
C15H14BrN3O6
M.W.:
412.20
Type:
Small molecule
AlogP:
-0.07
Polar Surface Area:
144.62
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA223841 Name:
(S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)
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Mol. Formula:
C15H14FN3O6
M.W.:
351.29
Type:
Small molecule
AlogP:
-0.69
Polar Surface Area:
144.62
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA222521 Name:
(S)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)
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Mol. Formula:
C16H17N3O6
M.W.:
347.33
Type:
Small molecule
AlogP:
-0.52
Polar Surface Area:
144.62
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
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