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ALA4096405 Name:
2-(4-Chlorophenyl)-1-((4aS,8S,8aR)-8-((S)-3-hydrox
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Mol. Formula:
C24H31ClN4O5S
M.W.:
523.06
Type:
Small molecule
AlogP:
1.90
Polar Surface Area:
107.19
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4095192 Name:
(4aR,5S,8aS)-Methyl 4-(2-(3,4-Dichlorophenyl)acety
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Mol. Formula:
C22H29Cl2N3O4
M.W.:
470.40
Type:
Small molecule
AlogP:
2.80
Polar Surface Area:
73.32
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4102093 Name:
(2R,6R,11R)-3-(2-Methoxy-2-phenylethyl)-6,11-dimet
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Mol. Formula:
C23H29NO2
M.W.:
351.49
Type:
Small molecule
AlogP:
4.30
Polar Surface Area:
32.70
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA4092100 Name:
(4aR,5S,8aS)-Methyl 4-(2-(3-Chlorophenyl)acetyl)-5
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Mol. Formula:
C22H30ClN3O4
M.W.:
435.95
Type:
Small molecule
AlogP:
2.15
Polar Surface Area:
73.32
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4091184 Name:
(4aR,5S,8aS)-Methyl 4-(2-(4-Chlorophenyl)acetyl)-5
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Mol. Formula:
C22H30ClN3O4
M.W.:
435.95
Type:
Small molecule
AlogP:
2.15
Polar Surface Area:
73.32
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4072972 Name:
Methyl 2-((4aR,5S,8aS)-4-(2-(3,4-Dichlorophenyl)ac
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Mol. Formula:
C23H31Cl2N3O3
M.W.:
468.43
Type:
Small molecule
AlogP:
3.24
Polar Surface Area:
53.09
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4061582 Name:
(4aR,5S,8aS)-Methyl 4-(2-(3-Chloro-4-fluorophenyl)
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Mol. Formula:
C22H29ClFN3O4
M.W.:
453.94
Type:
Small molecule
AlogP:
2.29
Polar Surface Area:
73.32
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4083401 Name:
(4aR,5S,8aS)-Methyl 4-(2-(4-Chloro-3-fluorophenyl)
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Mol. Formula:
C22H29ClFN3O4
M.W.:
453.94
Type:
Small molecule
AlogP:
2.29
Polar Surface Area:
73.32
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4077833 Name:
(2R,6R,11R)-3-(2-Hydroxy-2-phenylpropyl)-6,11-dime
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Mol. Formula:
C23H29NO2
M.W.:
351.49
Type:
Small molecule
AlogP:
3.82
Polar Surface Area:
43.70
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA4069231 Name:
2-(3,4-Dichlorophenyl)-1-((4aS,8S,8aS)-8-(pyrrolid
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Mol. Formula:
C20H27Cl2N3O
M.W.:
396.36
Type:
Small molecule
AlogP:
3.35
Polar Surface Area:
35.58
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4069149 Name:
2-(4-Chloro-3-fluorophenyl)-1-((4aS,8S,8aR)-8-((S)
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Mol. Formula:
C24H30ClFN4O5S
M.W.:
541.05
Type:
Small molecule
AlogP:
2.04
Polar Surface Area:
107.19
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4064380 Name:
(4aR,5S,8aS)-Methyl 4-(2-(3-Chloro-4-(trifluoromet
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Mol. Formula:
C23H29ClF3N3O4
M.W.:
503.95
Type:
Small molecule
AlogP:
3.17
Polar Surface Area:
73.32
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA3981656 Name:
3-endo-(8-{2-[(4-fluorobenzyl)-(2-methanesulfonyla
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Mol. Formula:
C28H33F4N3O6S
M.W.:
615.65
Type:
Small molecule
AlogP:
2.71
Polar Surface Area:
100.78
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA3979596 Name:
3-endo-(8-{2-[[2-(3-fluorophenyl)ethyl]-(2-hydroxy
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Mol. Formula:
C28H33F4N3O5
M.W.:
567.58
Type:
Small molecule
AlogP:
2.70
Polar Surface Area:
86.87
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3979255 Name:
3-endo-(8-{2-[(2-methanesulfonylacetyl)-(4-trifluo
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Mol. Formula:
C29H33F6N3O6S
M.W.:
665.65
Type:
Small molecule
AlogP:
3.59
Polar Surface Area:
100.78
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3822822 Name:
(S)-6-amino-2-((S)-2-((R)-2-((S)-2-amino-3-(2,6-di
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Mol. Formula:
C34H53N9O5
M.W.:
667.86
Type:
Protein
AlogP:
-0.04
Polar Surface Area:
264.56
HBA:
8
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA3822702 Name:
(S)-6-amino-2-((S)-2-((R)-2-((S)-2-amino-3-(4-hydr
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Mol. Formula:
C34H53N9O5
M.W.:
667.86
Type:
Protein
AlogP:
0.27
Polar Surface Area:
264.56
HBA:
8
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA3822676 Name:
(S)-6-amino-2-((S)-2-((R)-2-((S)-2-amino-3-(2-ethy
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Mol. Formula:
C33H51N9O5
M.W.:
653.83
Type:
Protein
AlogP:
-0.29
Polar Surface Area:
264.56
HBA:
8
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA3823054 Name:
(S)-6-amino-2-((S)-2-((R)-2-((S)-2-amino-3-(4-hydr
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Mol. Formula:
C33H51N9O5
M.W.:
653.83
Type:
Protein
AlogP:
-0.24
Polar Surface Area:
264.56
HBA:
8
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5208146 Name:
rac-2-(3,4-dichlorophenyl)-1-((1S,5R,8R)-8-(pyrrol
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Mol. Formula:
C20H26Cl2N2O
M.W.:
381.35
Type:
---
AlogP:
4.40
Polar Surface Area:
23.55
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
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