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ALA2114367 Name:
3-(6-Amino-purin-9-yl)-nonan-2-ol
Cas Number:
79854-83-4
Mol. Formula:
C14H23N5O
M.W.:
277.37
Type:
Small molecule
AlogP:
2.30
Polar Surface Area:
89.85
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA2112110 Name:
(R)-3-((2R,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydr
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Mol. Formula:
C12H17N3O4
M.W.:
267.29
Type:
Small molecule
AlogP:
0.05
Polar Surface Area:
100.10
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA1651380 Name:
8-aza-nebularine
Cas Number:
38874-46-3
Mol. Formula:
C9H11N5O4
M.W.:
253.22
Type:
Small molecule
AlogP:
-2.17
Polar Surface Area:
126.41
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA1651378 Name:
(R)-3-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetra
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Mol. Formula:
C11H14N4O4
M.W.:
266.26
Type:
Small molecule
AlogP:
-0.70
Polar Surface Area:
112.46
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA1651377 Name:
(2R,3R,4S,5R)-2-((R)-8-hydroxyimidazo[4,5-d][1,3]d
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Mol. Formula:
C11H14N4O5
M.W.:
282.26
Type:
Small molecule
AlogP:
-1.73
Polar Surface Area:
132.69
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA1555103 Name:
3-(6-Amino-purin-9-yl)-nonan-2-ol
Cas Number:
51350-19-7
Mol. Formula:
C14H23N5O
M.W.:
277.37
Type:
Small molecule
AlogP:
2.30
Polar Surface Area:
89.85
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA1234234 Name:
5'-methylthiocoformycin
Mol. Formula:
C12H18N4O4S
M.W.:
314.37
Type:
Small molecule
AlogP:
-0.84
Polar Surface Area:
112.13
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA604966 Name:
(2R,5R)-2-((R)-8-Hydroxy-7,8-dihydro-6H-1,3,4-tria
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Mol. Formula:
C12H17N3O5
M.W.:
283.28
Type:
Small molecule
AlogP:
-0.98
Polar Surface Area:
120.33
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA359803 Name:
1-((1R,2S)-1-{2-[2-(4-Chloro-phenyl)-benzooxazol-7
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Mol. Formula:
C22H21ClN4O3
M.W.:
424.89
Type:
Small molecule
AlogP:
4.00
Polar Surface Area:
107.17
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA341027 Name:
3-(6-Amino-purin-9-yl)-4-phenyl-butan-2-ol
Mol. Formula:
C15H17N5O
M.W.:
283.33
Type:
Small molecule
AlogP:
1.57
Polar Surface Area:
89.85
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA132108 Name:
3-(6-Amino-purin-9-yl)-undecan-2-ol
Mol. Formula:
C16H27N5O
M.W.:
305.43
Type:
Small molecule
AlogP:
3.08
Polar Surface Area:
89.85
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA124728 Name:
1-{1-((R)-Hydroxymethyl)-3-[6-(4-p-tolyl-butyrylam
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Mol. Formula:
C27H31N5O3
M.W.:
473.58
Type:
Small molecule
AlogP:
3.83
Polar Surface Area:
115.17
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA340086 Name:
1-{1-((R)-Hydroxymethyl)-3-[6-(3-pyridin-3-yl-prop
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Mol. Formula:
C24H26N6O3
M.W.:
446.51
Type:
Small molecule
AlogP:
2.53
Polar Surface Area:
128.06
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA125386 Name:
1-[3-[6-(3-Benzyl-ureido)-indol-1-yl]-1-((R)-hydro
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Mol. Formula:
C24H26N6O3
M.W.:
446.51
Type:
Small molecule
AlogP:
2.88
Polar Surface Area:
127.20
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA332298 Name:
1-{(R)-1-Hydroxymethyl-3-[6-(3-phenyl-propoxy)-ind
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Mol. Formula:
C25H28N4O3
M.W.:
432.52
Type:
Small molecule
AlogP:
3.57
Polar Surface Area:
95.30
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA340297 Name:
1-((R)-3-{5-[3-(4-Chloro-phenyl)-propoxy]-1-methyl
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Mol. Formula:
C26H29ClN4O3
M.W.:
481.00
Type:
Small molecule
AlogP:
4.30
Polar Surface Area:
95.30
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA125208 Name:
1-(1-((R)-Hydroxymethyl)-3-{6-[3-(4-methoxy-phenyl
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Mol. Formula:
C26H29N5O4
M.W.:
475.55
Type:
Small molecule
AlogP:
3.14
Polar Surface Area:
124.40
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA123620 Name:
1-{(R)-1-Hydroxymethyl-3-[6-(4-phenyl-butoxy)-indo
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Mol. Formula:
C26H30N4O3
M.W.:
446.55
Type:
Small molecule
AlogP:
3.96
Polar Surface Area:
95.30
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA333809 Name:
1-[(R)-3-(6-Hexyloxy-indol-1-yl)-1-hydroxymethyl-p
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Mol. Formula:
C22H30N4O3
M.W.:
398.51
Type:
Small molecule
AlogP:
3.52
Polar Surface Area:
95.30
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA125275 Name:
1-[(R)-3-(6-Butoxy-indol-1-yl)-1-hydroxymethyl-pro
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Mol. Formula:
C20H26N4O3
M.W.:
370.45
Type:
Small molecule
AlogP:
2.74
Polar Surface Area:
95.30
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
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