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ALA4879327 Name:
4,8-dibromo-5H-[1,3]dioxolo[4,5-f]indole-7-carbald
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Mol. Formula:
C10H5Br2NO3
M.W.:
346.96
Type:
Unknown
AlogP:
3.23
Polar Surface Area:
51.32
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4879004 Name:
(E)-6-chloro-N-(4-fluorophenethyl)-2-(3,4,5-trimet
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Mol. Formula:
C23H23ClFN3O3
M.W.:
443.91
Type:
Unknown
AlogP:
5.12
Polar Surface Area:
65.50
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4878971 Name:
(E)-N-(4-methoxyphenyl)-2-(3,4,5-trimethoxystyryl)
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Mol. Formula:
C24H23N3O4S
M.W.:
449.53
Type:
Unknown
AlogP:
5.64
Polar Surface Area:
74.73
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA4878809 Name:
3,5-O,O-di-triethylsilyl resveratrol
Mol. Formula:
C26H40O3Si2
M.W.:
456.78
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4878783 Name:
(+/-)-Virolongin B
Cas Number:
41535-94-8
Mol. Formula:
C23H30O6
M.W.:
402.49
Type:
Unknown
AlogP:
4.47
Polar Surface Area:
55.38
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4878747 Name:
N-Acetyl-3-methoxynornantenine
Mol. Formula:
C22H23NO6
M.W.:
397.43
Type:
Unknown
AlogP:
3.11
Polar Surface Area:
66.46
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4878737 Name:
Longipetalol A
Mol. Formula:
C38H44O9
M.W.:
644.76
Type:
Unknown
AlogP:
4.50
Polar Surface Area:
136.43
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4878711 Name:
7beta-hydroxy-ent-pimara-8(14),15-dien-19-oic acid
Mol. Formula:
C20H32O3
M.W.:
320.47
Type:
Unknown
AlogP:
4.26
Polar Surface Area:
57.53
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4878622 Name:
(3S,10R,13S,17S)-3-hydroxy-10,13-dimethyl-N-propyl
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Mol. Formula:
C23H37NO2
M.W.:
359.55
Type:
Unknown
AlogP:
4.45
Polar Surface Area:
49.33
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4878551 Name:
(E)-N-(4-fluorophenethyl)-2-(3,4,5-trimethoxystyry
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Mol. Formula:
C23H24FN3O3
M.W.:
409.46
Type:
Unknown
AlogP:
4.47
Polar Surface Area:
65.50
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4878513 Name:
Chrysaindilide B; (+)-(1R,5R,6R,7R,8S,10S)-8-angel
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Mol. Formula:
C20H24O5
M.W.:
344.41
Type:
Unknown
AlogP:
2.76
Polar Surface Area:
69.67
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4878502 Name:
n-butylsyringin
Mol. Formula:
C21H32O9
M.W.:
428.48
Type:
Unknown
AlogP:
0.71
Polar Surface Area:
127.07
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA4878329 Name:
Deacetyloyatifolin
Mol. Formula:
C15H20O4
M.W.:
264.32
Type:
Unknown
AlogP:
1.49
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4878218 Name:
(E)-N-methyl-N-phenyl-2-styrylthieno[3,2-d]pyrimid
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Mol. Formula:
C21H17N3S
M.W.:
343.46
Type:
Unknown
AlogP:
5.63
Polar Surface Area:
29.02
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4878187 Name:
Secofumigaclavine A
Mol. Formula:
C23H30N2O4
M.W.:
398.50
Type:
Unknown
AlogP:
3.39
Polar Surface Area:
75.71
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4878120 Name:
(S)-3-(benzo[d][1,3]dioxol-5-yl)-7,8-dimethoxy-2-(
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Mol. Formula:
C27H24N2O9
M.W.:
520.49
Type:
Unknown
AlogP:
4.55
Polar Surface Area:
120.52
HBA:
10
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4877882 Name:
(E)-N-phenethyl-2-(3,4,5-trimethoxystyryl)pyrimidi
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Mol. Formula:
C23H25N3O3
M.W.:
391.47
Type:
Unknown
AlogP:
4.33
Polar Surface Area:
65.50
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4877800 Name:
Munrolin D
Mol. Formula:
C33H42O10
M.W.:
598.69
Type:
Unknown
AlogP:
3.45
Polar Surface Area:
149.57
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA4877780 Name:
3-(benzo[d][1,3]dioxol-5-yl)-7,8-dimethoxy-2-(1-me
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Mol. Formula:
C28H24F3NO6S
M.W.:
559.56
Type:
Unknown
AlogP:
6.37
Polar Surface Area:
68.15
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4877736 Name:
(3S,10R,13S,17S)eN-(2-acetamidoethyl)-3-hydroxy-10
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Mol. Formula:
C24H38N2O3
M.W.:
402.58
Type:
Unknown
AlogP:
3.18
Polar Surface Area:
78.43
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
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