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ALA4531593 Name:
(S)-4-(1-(carboxymethyl)-1H-tetrazol-5-yl)-2-(4-((
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Mol. Formula:
C27H25FN8O6
M.W.:
576.55
Type:
Unknown
AlogP:
1.16
Polar Surface Area:
196.29
HBA:
10
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4857252 Name:
ethyl 5-phenyl-1-(1-(3-(2,2,2-trifluoroacetamido)p
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Mol. Formula:
C21H24F3N5O4
M.W.:
467.45
Type:
Unknown
AlogP:
2.26
Polar Surface Area:
106.42
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4876915 Name:
2-phenyl-5-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl
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Mol. Formula:
C17H13N5OS
M.W.:
335.39
Type:
Unknown
AlogP:
3.61
Polar Surface Area:
69.63
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5282201 Name:
methyl (S)-2-(4-((2-amino-6-methyl-4-oxo-3,4-dihyd
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Mol. Formula:
C26H25N5O4S
M.W.:
503.58
Type:
---
AlogP:
3.06
Polar Surface Area:
153.19
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5287291 Name:
methyl (4-((2-amino-6-methyl-4-oxo-3,4-dihydroquin
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Mol. Formula:
C26H24N4O4S
M.W.:
488.57
Type:
---
AlogP:
3.48
Polar Surface Area:
127.17
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5286548 Name:
methyl (S)-2-(4-((2-amino-6-methyl-4-oxo-3,4-dihyd
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Mol. Formula:
C26H24N4O6S
M.W.:
520.57
Type:
---
AlogP:
2.89
Polar Surface Area:
167.63
HBA:
9
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA5289689 Name:
(S)-4-((2-amino-6-methyl-4-oxo-3,4-dihydroquinazol
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Mol. Formula:
C24H22N4O3S
M.W.:
446.53
Type:
---
AlogP:
3.43
Polar Surface Area:
121.10
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5289121 Name:
(R)-4-((2-amino-6-methyl-4-oxo-3,4-dihydroquinazol
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Mol. Formula:
C24H22N4O2S
M.W.:
430.53
Type:
---
AlogP:
4.46
Polar Surface Area:
100.87
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5288172 Name:
(4-((2-amino-6-methyl-4-oxo-3,4-dihydroquinazolin-
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Mol. Formula:
C25H22N4O4S
M.W.:
474.54
Type:
---
AlogP:
3.39
Polar Surface Area:
138.17
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5283610 Name:
methyl (S)-2-(5-((2-amino-6-methyl-4-oxo-3,4-dihyd
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Mol. Formula:
C23H20N4O4S2
M.W.:
480.57
Type:
---
AlogP:
3.67
Polar Surface Area:
127.17
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5273148 Name:
3-(4-((2-amino-6-methyl-4-oxo-3,4-dihydroquinazoli
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Mol. Formula:
C23H18N4O4S
M.W.:
446.49
Type:
---
AlogP:
3.92
Polar Surface Area:
138.17
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5271165 Name:
methyl 3-(4-((2-amino-6-methyl-4-oxo-3,4-dihydroqu
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Mol. Formula:
C24H20N4O4S
M.W.:
460.52
Type:
---
AlogP:
4.00
Polar Surface Area:
127.17
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA5268759 Name:
methyl (4-((2-amino-6-methyl-4-oxo-3,4-dihydroquin
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Mol. Formula:
C26H24N4O5S
M.W.:
504.57
Type:
---
AlogP:
3.18
Polar Surface Area:
147.40
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5267424 Name:
methyl (R)-2-(4-((2-amino-6-methyl-4-oxo-3,4-dihyd
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Mol. Formula:
C25H22N4O4S
M.W.:
474.54
Type:
---
AlogP:
3.61
Polar Surface Area:
127.17
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5266971 Name:
methyl (4-((2-amino-6-methyl-4-oxo-3,4-dihydroquin
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Mol. Formula:
C28H25N5O4S
M.W.:
527.61
Type:
---
AlogP:
3.96
Polar Surface Area:
142.96
HBA:
7
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5196526 Name:
(2S,5S,8S,11S,14S,17R,20S,23S,28S)-5,14-bis(3-amin
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Mol. Formula:
C62H88N20O18S
M.W.:
1433.58
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5195943 Name:
(2S,5S,8S,11S,14R,17R,20S,23S,28S)-5,14-bis(3-amin
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Mol. Formula:
C62H88N20O18S
M.W.:
1433.58
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4247131 Name:
(S)-1-((2S,5S,8S,11S,14R,17S,20S)-20-amino-2,11-bi
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Mol. Formula:
C42H66N10O13S
M.W.:
951.11
Type:
Small molecule
AlogP:
-3.21
Polar Surface Area:
384.87
HBA:
14
HBD:
13
#RO5 Violations:
3
#Rotatable Bonds:
28
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4246576 Name:
(3S,6R,9S,12S,15S,18S,21S)-9,18-bis(3-amino-3-oxop
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Mol. Formula:
C42H67N13O13S
M.W.:
994.14
Type:
Small molecule
AlogP:
-5.07
Polar Surface Area:
441.57
HBA:
15
HBD:
17
#RO5 Violations:
3
#Rotatable Bonds:
31
Passes Ro3:
N
QED Weighted:
0.01
DETAILS
CLOSE
ALA4243607 Name:
(3S,6S,9S,12S,15S)-3,12-bis(3-amino-3-oxopropyl)-1
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Mol. Formula:
C45H73N13O13
M.W.:
1004.16
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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