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ALA5203060 Name:
Juvenimicin C
Mol. Formula:
C29H48O10
M.W.:
556.69
Type:
---
AlogP:
1.89
Polar Surface Area:
155.28
HBA:
10
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5087784 Name:
Notoscarin E
Mol. Formula:
C20H28O3
M.W.:
316.44
Type:
Unknown
AlogP:
3.63
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA5085612 Name:
Notoscarin F
Mol. Formula:
C20H30O3
M.W.:
318.46
Type:
Unknown
AlogP:
3.71
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5084396 Name:
Notoscarin D
Mol. Formula:
C21H32O3
M.W.:
332.48
Type:
Unknown
AlogP:
4.08
Polar Surface Area:
38.69
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA5077501 Name:
Notoscarin C
Mol. Formula:
C19H29ClO3
M.W.:
340.89
Type:
Unknown
AlogP:
3.17
Polar Surface Area:
60.69
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4879203 Name:
Coprisamide B
Mol. Formula:
C46H66N8O11
M.W.:
907.08
Type:
Unknown
AlogP:
0.85
Polar Surface Area:
293.32
HBA:
11
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4877957 Name:
Coprisamide A
Mol. Formula:
C47H68N8O11
M.W.:
921.11
Type:
Unknown
AlogP:
1.24
Polar Surface Area:
293.32
HBA:
11
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4875799 Name:
Coprisamide D
Mol. Formula:
C47H70N8O11
M.W.:
923.12
Type:
Unknown
AlogP:
1.32
Polar Surface Area:
293.32
HBA:
11
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4872244 Name:
Scaparin G
Mol. Formula:
C20H28O3
M.W.:
316.44
Type:
Unknown
AlogP:
2.99
Polar Surface Area:
54.37
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4872201 Name:
Scaparin D
Mol. Formula:
C22H28O8
M.W.:
420.46
Type:
Unknown
AlogP:
1.59
Polar Surface Area:
103.82
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4861045 Name:
Scaparin B
Mol. Formula:
C20H26O7
M.W.:
378.42
Type:
Unknown
AlogP:
1.02
Polar Surface Area:
94.45
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4856463 Name:
Scaparin E
Mol. Formula:
C22H28O8
M.W.:
420.46
Type:
Unknown
AlogP:
1.59
Polar Surface Area:
103.82
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4852900 Name:
Scaparin F
Mol. Formula:
C25H34O10
M.W.:
494.54
Type:
Unknown
AlogP:
1.77
Polar Surface Area:
130.12
HBA:
10
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4852005 Name:
Scaparin A
Mol. Formula:
C20H26O5
M.W.:
346.42
Type:
Unknown
AlogP:
2.97
Polar Surface Area:
61.06
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4848540 Name:
Scaparin C
Mol. Formula:
C22H28O6
M.W.:
388.46
Type:
Unknown
AlogP:
3.54
Polar Surface Area:
70.43
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4799992 Name:
1-(3-chloro-4-fluorophenyl)undeca-2,4-diyne-1,6-diol
Mol. Formula:
C17H18ClFO2
M.W.:
308.78
Type:
Unknown
AlogP:
3.46
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4799582 Name:
1-(3-chlorophenyl)-8-methyl-nona-2,4-diyne-1,6-diol
Mol. Formula:
C16H17ClO2
M.W.:
276.76
Type:
Unknown
AlogP:
2.79
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.83
DETAILS
CLOSE
ALA4798808 Name:
1-(4-fluorophenyl)pentadeca-2,4-diyne-1,6-diol
Mol. Formula:
C21H27FO2
M.W.:
330.44
Type:
Unknown
AlogP:
4.37
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA4798342 Name:
1-(4-methoxy-2-methylphenyl)undeca-2,4-diyne-1,6-diol
Mol. Formula:
C19H24O3
M.W.:
300.40
Type:
Unknown
AlogP:
2.99
Polar Surface Area:
49.69
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4796267 Name:
1-(3-chlorophenyl)-6-cyclohexyl-hexa-2,4-diyne-1,6-diol
Mol. Formula:
C18H19ClO2
M.W.:
302.80
Type:
Unknown
AlogP:
3.32
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
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