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ALA4859712 Name:
(R)-Hexa-2,4-dienoic acid (10R,10aR)-8-oxo-9-(3,4,
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Mol. Formula:
C28H28O9
M.W.:
508.52
Type:
Unknown
AlogP:
4.09
Polar Surface Area:
98.75
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4858684 Name:
(R)-Dodecanoic acid (5R,8aR,9R)-8-oxo-9-(3,4,5-tri
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Mol. Formula:
C34H44O9
M.W.:
596.72
Type:
Unknown
AlogP:
6.88
Polar Surface Area:
98.75
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA4857960 Name:
3-Chloro-thiophene-2-carboxylic acid (5R,5aR,8aR,9
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Mol. Formula:
C27H23ClO9S
M.W.:
558.99
Type:
Unknown
AlogP:
4.99
Polar Surface Area:
98.75
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4874885 Name:
(S)-2-tert-Butoxycarbonylamino-4-((R)-methylsulfan
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Mol. Formula:
C32H39NO11S
M.W.:
645.73
Type:
Unknown
AlogP:
4.61
Polar Surface Area:
137.08
HBA:
12
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4849412 Name:
Hexadecanoic acid (5aR,8aR,9R)-9-[3-((R)-methoxy)-
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Mol. Formula:
C38H52O9
M.W.:
652.82
Type:
Unknown
AlogP:
8.44
Polar Surface Area:
98.75
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
19
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4863643 Name:
Octadecanoic acid (3R,3aR,8aR)-8-oxo-9-(3,4,5-trim
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Mol. Formula:
C40H56O9
M.W.:
680.88
Type:
Unknown
AlogP:
9.22
Polar Surface Area:
98.75
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4854505 Name:
2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propi
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Mol. Formula:
C38H40N2O11
M.W.:
700.74
Type:
Unknown
AlogP:
5.58
Polar Surface Area:
152.87
HBA:
11
HBD:
2
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4852756 Name:
But-2-enoic acid (3aR,5R,7R)-8-oxo-9-((R)-3,4,5-tr
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Mol. Formula:
C26H26O9
M.W.:
482.49
Type:
Unknown
AlogP:
3.54
Polar Surface Area:
98.75
HBA:
9
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4870295 Name:
(S)-2-tert-Butoxycarbonylamino-3-methyl-butyric ac
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Mol. Formula:
C32H39NO11
M.W.:
613.66
Type:
Unknown
AlogP:
4.51
Polar Surface Area:
137.08
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5289692 Name:
4-(5-phenyl-3-(selenocyanatomethyl)-1H-pyrazol-1-y
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Mol. Formula:
C17H14N4O2SSe
M.W.:
417.35
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4852095 Name:
5-Bromo-thiophene-2-carboxylic acid (5R,5aR,8aR,9R
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Mol. Formula:
C27H23BrO9S
M.W.:
603.44
Type:
Unknown
AlogP:
5.10
Polar Surface Area:
98.75
HBA:
10
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4852086 Name:
Tetradecanoic acid (6R,8aR)-8-oxo-9-((R)-3,4,5-tri
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Mol. Formula:
C36H48O9
M.W.:
624.77
Type:
Unknown
AlogP:
7.66
Polar Surface Area:
98.75
HBA:
9
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4638908 Name:
Pyrroloformamide A
Cas Number:
21787-65-5
Mol. Formula:
C7H6N2O2S2
M.W.:
214.27
Type:
Unknown
AlogP:
1.20
Polar Surface Area:
53.17
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4594433 Name:
ML-246
Mol. Formula:
C31H30N4O
M.W.:
474.61
Type:
Small molecule
AlogP:
6.18
Polar Surface Area:
66.83
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4867624 Name:
Thiophene-2-carboxylic acid (5R,5aR,8aR)-9-[3-((R)
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Mol. Formula:
C27H24O9S
M.W.:
524.55
Type:
Unknown
AlogP:
4.34
Polar Surface Area:
98.75
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5209288 Name:
4-(4-Imino-7-phenethyl-5,6-diphenyl-4,7-dihydro-3H
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Mol. Formula:
C30H30N4O
M.W.:
462.60
Type:
---
AlogP:
5.67
Polar Surface Area:
66.83
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5209120 Name:
3-((7-Benzyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimid
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Mol. Formula:
C28H26N4O
M.W.:
434.54
Type:
---
AlogP:
5.61
Polar Surface Area:
62.97
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA5208507 Name:
7-Benzyl-3-((trans)-4-methoxycyclohexyl)-5,6-diphe
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Mol. Formula:
C32H32N4O
M.W.:
488.64
Type:
---
AlogP:
6.83
Polar Surface Area:
55.83
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5208351 Name:
N-(2-(7-Benzyl-4-imino-5,6-diphenyl-4,7-dihydro-3H
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Mol. Formula:
C32H28N6
M.W.:
496.62
Type:
---
AlogP:
6.21
Polar Surface Area:
71.52
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5207969 Name:
7-Benzyl-3-(oxetan-3-ylmethyl)-5,6-diphenyl-3,7-di
Show More⌵
Mol. Formula:
C29H26N4O
M.W.:
446.55
Type:
---
AlogP:
5.35
Polar Surface Area:
55.83
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
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