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ALA3736134 Name:
(3S,6S,9S,12S,18S)-18-((S)-2-((S)-2-amino-3-(1H-im
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Mol. Formula:
C150H227FN40O39S
M.W.:
3265.77
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3736230 Name:
(3S,6S,9S,12S,18S)-18-((S)-2-((S)-2-amino-3-(1H-im
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Mol. Formula:
C150H228N40O39S
M.W.:
3247.78
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4757203 Name:
N-(2-(1H-imidazol-4-yl)ethyl)-1-(1H-indazol-3-yl)-
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Cas Number:
1436004-46-4
Mol. Formula:
C17H18N6O2
M.W.:
338.37
Type:
Unknown
AlogP:
1.00
Polar Surface Area:
106.77
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5220770 Name:
(3S)-4-[[2-[[(1S,2S)-1-[[(1S)-2-[[(1S,2R)-1-[[(1S)
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Mol. Formula:
C209H343N65O54S
M.W.:
4662.51
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5219662 Name:
(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[
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Mol. Formula:
C187H309N57O47S
M.W.:
4139.95
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
---
AlogP:
1.40
Polar Surface Area:
119.33
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5208486 Name:
2-Amino-5-(3-ethoxyphenyl)-5,8-dihydropyrido[2,3-d
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Mol. Formula:
C15H16N4O3
M.W.:
300.32
Type:
---
AlogP:
1.22
Polar Surface Area:
110.10
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA5208361 Name:
2-Amino-5-(3-chlorophenyl)-5,8-dihydropyrido[2,3-d
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Mol. Formula:
C13H11ClN4O2
M.W.:
290.71
Type:
---
AlogP:
1.48
Polar Surface Area:
100.87
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5207316 Name:
2-Amino-5-(3,4-difluorophenyl)-5,8-dihydropyrido[2
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Mol. Formula:
C13H10F2N4O2
M.W.:
292.25
Type:
---
AlogP:
1.10
Polar Surface Area:
100.87
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5205678 Name:
2-Amino-5-(3-methoxy-4-propoxyphenyI)-5,8-dihydrop
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Mol. Formula:
C17H20N4O4
M.W.:
344.37
Type:
---
AlogP:
1.62
Polar Surface Area:
119.33
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5203927 Name:
2-Amino-5-(3,4-diethoxyphenyl)-5,8-dihydropyrido[2
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Mol. Formula:
C17H20N4O4
M.W.:
344.37
Type:
---
AlogP:
1.62
Polar Surface Area:
119.33
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5203375 Name:
2-Amino-5-(3-trifluoromethoxyphenyl)-5,8-dihydropy
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Mol. Formula:
C14H11F3N4O3
M.W.:
340.26
Type:
---
AlogP:
1.72
Polar Surface Area:
110.10
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA5202478 Name:
2-Amino-5-(3-ethylphenyl)-5,8-dihydropyrido[2,3-d]
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Mol. Formula:
C15H16N4O2
M.W.:
284.32
Type:
---
AlogP:
1.39
Polar Surface Area:
100.87
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA5202306 Name:
2-Amino-5-(3-chloro-4-ethoxyphenyl)-5,8-dihydropyr
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Mol. Formula:
C15H15ClN4O3
M.W.:
334.76
Type:
---
AlogP:
1.88
Polar Surface Area:
110.10
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA5200386 Name:
2-Amino-5-(3-bromophenyl)-5,8-dihydropyrido[2,3-d]
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Mol. Formula:
C13H11BrN4O2
M.W.:
335.16
Type:
---
AlogP:
1.59
Polar Surface Area:
100.87
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5199617 Name:
2-Amino-5-(3-butylphenyl)-5,8-dihydropyrido[2,3-d]
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Mol. Formula:
C17H20N4O2
M.W.:
312.37
Type:
---
AlogP:
2.17
Polar Surface Area:
100.87
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA5195339 Name:
2-Amino-5-(3-propylphenyl)-5,8-dihydropyrido[2,3-d
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Mol. Formula:
C16H18N4O2
M.W.:
298.35
Type:
---
AlogP:
1.78
Polar Surface Area:
100.87
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA5195283 Name:
2-Amino-5-(4-ethoxy-3-methylphenyl)-5,8-dihydropyr
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Mol. Formula:
C16H18N4O3
M.W.:
314.35
Type:
---
AlogP:
1.53
Polar Surface Area:
110.10
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA5195154 Name:
2-Amino-5-(3-bromo-4-ethoxyphenyl)-5,8-dihydropyri
Show More⌵
Mol. Formula:
C15H15BrN4O3
M.W.:
379.21
Type:
---
AlogP:
1.99
Polar Surface Area:
110.10
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5192161 Name:
2-Amino-5-(4-ethoxy-3-methoxyphenyl)-5,8-dihydropy
Show More⌵
Mol. Formula:
C16H18N4O4
M.W.:
330.34
Type:
---
AlogP:
1.23
Polar Surface Area:
119.33
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
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