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ALA4483681 Name:
tert-Butyl (4aRS,5SR,8aSR)-4-[2-(3,4-dichloropheny
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Mol. Formula:
C25H35Cl2N3O3
M.W.:
496.48
Type:
Unknown
AlogP:
5.00
Polar Surface Area:
53.09
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4582146 Name:
2-(3,4-Dichlorophenyl)-1-[(4aRS,8RS,8aSR)-4-propyl
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Mol. Formula:
C23H33Cl2N3O
M.W.:
438.44
Type:
Unknown
AlogP:
4.48
Polar Surface Area:
26.79
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4462000 Name:
2-(3,4-Dichlorophenyl)-1-[(4aSR,8SR,8aSR)-4-methyl
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Mol. Formula:
C21H29Cl2N3O
M.W.:
410.39
Type:
Unknown
AlogP:
3.70
Polar Surface Area:
26.79
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4467644 Name:
2-(3,4-Dichlorophenyl)-1-[(4aRS,8RS,8aSR)-4-ethyl-
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Mol. Formula:
C22H31Cl2N3O
M.W.:
424.42
Type:
Unknown
AlogP:
4.09
Polar Surface Area:
26.79
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4104096 Name:
(5S,8S,14S)-14-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p
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Mol. Formula:
C40H48F3N5O9S2
M.W.:
863.98
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
199.95
HBA:
9
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA4102551 Name:
(1R,5R,9S)-(-)-5-(3-Hydroxyphenyl)-2-(4-(trifluoro
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Mol. Formula:
C23H27ClF3NO2
M.W.:
441.92
Type:
Small molecule
AlogP:
4.51
Polar Surface Area:
43.70
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4094170 Name:
NA
Mol. Formula:
C31H29NO4
M.W.:
479.58
Type:
Small molecule
AlogP:
4.05
Polar Surface Area:
70.00
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4093929 Name:
(1S,5S,9R)-(+)-5-(3-hydroxyphenyl)-2-(4-nitrophene
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Mol. Formula:
C24H28N2O8
M.W.:
472.49
Type:
Small molecule
AlogP:
3.40
Polar Surface Area:
86.84
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4086190 Name:
(5S,8S,14S)-14-[(S)-2-Amino-3-(4-hydroxy-phenyl)-p
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Mol. Formula:
C40H48F3N5O9S2
M.W.:
863.98
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
199.95
HBA:
9
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4086171 Name:
(1R,5R,9R)-(-)-5-(3-hydroxyphenyl)-2-(((1R,2S)-2-p
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Mol. Formula:
C26H31NO6
M.W.:
453.54
Type:
Small molecule
AlogP:
4.05
Polar Surface Area:
43.70
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA4085431 Name:
(1R,5R,9S)-(-)-5-(3-Hydroxyphenyl)-2-(4-nitrophene
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Mol. Formula:
C24H28N2O8
M.W.:
472.49
Type:
Small molecule
AlogP:
3.40
Polar Surface Area:
86.84
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4073537 Name:
NA
Mol. Formula:
C32H31NO4
M.W.:
493.60
Type:
Small molecule
AlogP:
4.44
Polar Surface Area:
70.00
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4078283 Name:
(1R,5R,9S)-(-)-2-Cinnamyl-5-(3-hydroxyphenyl)-2-az
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Mol. Formula:
C25H29NO6
M.W.:
439.51
Type:
Small molecule
AlogP:
3.96
Polar Surface Area:
43.70
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA4066390 Name:
(4S,7S,13S)-13-((S)-2-amino-3-(4-hydroxyphenyl)pro
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Mol. Formula:
C40H48F3N5O9S2
M.W.:
863.98
Type:
Small molecule
AlogP:
2.90
Polar Surface Area:
199.95
HBA:
9
HBD:
7
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4064665 Name:
(1S,5S,9R)-(+)-2-Cinnamyl-5-(3-hydroxyphenyl)-2-az
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Mol. Formula:
C26H31NO6
M.W.:
453.54
Type:
Small molecule
AlogP:
4.35
Polar Surface Area:
43.70
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA3976694 Name:
1-(3-((2S,5R,8R,11R)-8-(4-aminobutyl)-5-benzyl-11-
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Mol. Formula:
C32H46N8O5
M.W.:
622.77
Type:
Small molecule
AlogP:
0.14
Polar Surface Area:
224.55
HBA:
7
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4646736 Name:
(2R)-6-acetamido-2-[[(2S)-2-amino-3-(4-hydroxyphen
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Mol. Formula:
C36H43N7O7
M.W.:
685.78
Type:
Unknown
AlogP:
1.75
Polar Surface Area:
234.67
HBA:
8
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4645094 Name:
(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl
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Mol. Formula:
C32H40N8O6
M.W.:
632.72
Type:
Unknown
AlogP:
0.23
Polar Surface Area:
251.68
HBA:
8
HBD:
9
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4644694 Name:
(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl
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Mol. Formula:
C32H39N7O7
M.W.:
633.71
Type:
Unknown
AlogP:
0.41
Polar Surface Area:
244.90
HBA:
8
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA4642564 Name:
(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl
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Mol. Formula:
C34H41N9O6
M.W.:
671.76
Type:
Unknown
AlogP:
0.71
Polar Surface Area:
267.47
HBA:
8
HBD:
10
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
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