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ALA4760181 Name:
[(1R,4S,5S,6S)-1-[(1S,2R,3R)-5-[3-[2-[2-[2-[2-[5-[
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Mol. Formula:
C72H124N6O18S
M.W.:
1393.88
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4587875 Name:
Cylindroxanthone B
Mol. Formula:
C21H20O8
M.W.:
400.38
Type:
Unknown
AlogP:
3.57
Polar Surface Area:
107.59
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5280640 Name:
Biselyngbyaside E
Mol. Formula:
C34H52O11
M.W.:
636.78
Type:
---
AlogP:
3.96
Polar Surface Area:
153.37
HBA:
11
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5287246 Name:
Glucopiericidinol A1
Mol. Formula:
C31H47NO10
M.W.:
593.71
Type:
---
AlogP:
2.56
Polar Surface Area:
171.19
HBA:
11
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4461541 Name:
Cylindroxanthone A
Mol. Formula:
C22H22O8
M.W.:
414.41
Type:
Unknown
AlogP:
3.87
Polar Surface Area:
96.59
HBA:
8
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA4459191 Name:
Toxyloxanthone B
Mol. Formula:
C19H16O5
M.W.:
324.33
Type:
Unknown
AlogP:
3.12
Polar Surface Area:
86.99
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4649270 Name:
3,4-dihydroquinolizinium
Mol. Formula:
C9H10N+
M.W.:
132.19
Type:
Unknown
AlogP:
1.39
Polar Surface Area:
3.88
HBA:
---
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.47
DETAILS
CLOSE
ALA4649014 Name:
1-butyl-3,5-dimethyl-2-[1-methylhex-1-enyl]pyridin
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Mol. Formula:
C18H30N+
M.W.:
260.44
Type:
Unknown
AlogP:
4.98
Polar Surface Area:
3.88
HBA:
---
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4649000 Name:
Quinocidin
Mol. Formula:
C19H28N+
M.W.:
270.44
Type:
Unknown
AlogP:
4.85
Polar Surface Area:
3.88
HBA:
---
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA4649573 Name:
6-[dec-1-enyl]-3,7,9-trimethyl-3,4-dihydroquinoliz
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Mol. Formula:
C22H34N+
M.W.:
312.52
Type:
Unknown
AlogP:
6.02
Polar Surface Area:
3.88
HBA:
---
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4644203 Name:
3,7,9-trimethyl-6-[1-methylhex-1-enyl]-1,2,3,4-tet
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Mol. Formula:
C19H30N+
M.W.:
272.46
Type:
Unknown
AlogP:
4.77
Polar Surface Area:
3.88
HBA:
---
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4644143 Name:
6-[hex-1-enyl]-3,7,9-trimethyl-3,4-dihydroquinoliz
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Mol. Formula:
C18H26N+
M.W.:
256.41
Type:
Unknown
AlogP:
4.46
Polar Surface Area:
3.88
HBA:
---
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4641650 Name:
3,7,9-trimethyl-6-[tetradec-1-enyl]-3,4-dihydroqui
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Mol. Formula:
C26H42N+
M.W.:
368.63
Type:
Unknown
AlogP:
7.58
Polar Surface Area:
3.88
HBA:
---
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4639581 Name:
7,9-dimethyl-6-[1-methylhex-1-enyl]-3,4-dihydroqui
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Mol. Formula:
C18H26N+
M.W.:
256.41
Type:
Unknown
AlogP:
4.60
Polar Surface Area:
3.88
HBA:
---
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4639412 Name:
6-[but-1-enyl]-3,7,9-trimethyl-3,4-dihydroquinoliz
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Mol. Formula:
C16H22N+
M.W.:
228.36
Type:
Unknown
AlogP:
3.68
Polar Surface Area:
3.88
HBA:
---
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4638695 Name:
6-[hexadec-1-enyl]-3,7,9-trimethyl-3,4-dihydroquin
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Mol. Formula:
C28H46N+
M.W.:
396.68
Type:
Unknown
AlogP:
8.36
Polar Surface Area:
3.88
HBA:
---
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4637857 Name:
6-[dodec-1-enyl]-3,7,9-trimethyl-3,4-dihydroquinol
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Mol. Formula:
C24H38N+
M.W.:
340.58
Type:
Unknown
AlogP:
6.80
Polar Surface Area:
3.88
HBA:
---
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4637761 Name:
6-[hex-1-enyl]-3,7,9-trimethyl-1,2,3,4-tetrahydroq
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Mol. Formula:
C18H28N+
M.W.:
258.43
Type:
Unknown
AlogP:
4.38
Polar Surface Area:
3.88
HBA:
---
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4636743 Name:
6-hexyl-3,7,9-trimethyl-3,4-dihydroquinolizin-5-iu
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Mol. Formula:
C18H28N+
M.W.:
258.43
Type:
Unknown
AlogP:
4.38
Polar Surface Area:
3.88
HBA:
---
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4635762 Name:
N-methyl-6-(1,3,7-trimethyl-6,7-dihydroquinolizin-
Show More⌵
Mol. Formula:
C19H29N2O+
M.W.:
301.45
Type:
Unknown
AlogP:
3.10
Polar Surface Area:
32.98
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
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