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ALA4483403 Name:
Fusarielin J
Mol. Formula:
C34H48O6
M.W.:
552.75
Type:
Unknown
AlogP:
5.17
Polar Surface Area:
99.52
HBA:
6
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4475800 Name:
1-(4-Methoxyphenyl)-3-(2,2,4,4-tetramethylthiochro
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Mol. Formula:
C21H26N2OS2
M.W.:
386.59
Type:
Unknown
AlogP:
6.06
Polar Surface Area:
33.29
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4474732 Name:
Carbamic acid(8S,9S,12S,13R,14S,16S,17S)-13,22-dih
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Mol. Formula:
C35H46N2O8
M.W.:
622.76
Type:
Unknown
AlogP:
5.45
Polar Surface Area:
149.57
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4474199 Name:
7-((4-fluorobenzyl)oxy)-N-(3-fluorophenyl)quinolin
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Mol. Formula:
C22H16F2N2O
M.W.:
362.38
Type:
Unknown
AlogP:
5.84
Polar Surface Area:
34.15
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4540683 Name:
(4S,5S)-5-((S)-3-methoxy-2-methyl-5-oxocyclopent-1
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Cas Number:
128286-96-4
Mol. Formula:
C16H20O5
M.W.:
292.33
Type:
Unknown
AlogP:
1.76
Polar Surface Area:
69.67
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4539752 Name:
1-(4,4-Dimethylthiochroman-6-yl)-3-(4-(trifluorome
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Mol. Formula:
C19H19F3N2S2
M.W.:
396.50
Type:
Unknown
AlogP:
6.29
Polar Surface Area:
24.06
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4522095 Name:
7-(3-Hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyb
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Mol. Formula:
C23H23N3O6
M.W.:
437.45
Type:
Unknown
AlogP:
3.18
Polar Surface Area:
107.83
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4519852 Name:
Paspalinine-13-ene
Mol. Formula:
C27H29NO3
M.W.:
415.53
Type:
Unknown
AlogP:
5.13
Polar Surface Area:
51.32
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4533241 Name:
27-O-(Tributylsilyl)-4-dehydroxy-4-oxowithaferin A
Mol. Formula:
C40H62O6Si
M.W.:
667.02
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4532674 Name:
octadecyl 4-(4-(bis(2-chloroethyl)amino)phenyl)but
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Mol. Formula:
C32H55Cl2NO2
M.W.:
556.70
Type:
Unknown
AlogP:
10.10
Polar Surface Area:
29.54
HBA:
3
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
26
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4532578 Name:
N-Ethyl-6-(3-hydroxy-4-methoxyphenyl)-2-oxo-1-(3,4
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Mol. Formula:
C25H26N4O7
M.W.:
494.50
Type:
Unknown
AlogP:
2.87
Polar Surface Area:
136.93
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4531924 Name:
(E)-N-(4-Bromophenyl)-7-cyano-6-((pyridin-3-ylmeth
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Mol. Formula:
C21H16BrN5O
M.W.:
434.30
Type:
Unknown
AlogP:
4.47
Polar Surface Area:
83.07
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4560186 Name:
(E)-N-(4-Bromophenyl)-7-cyano-6-((thiophen-2-ylmet
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Mol. Formula:
C20H15BrN4OS
M.W.:
439.34
Type:
Unknown
AlogP:
5.13
Polar Surface Area:
70.18
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4560078 Name:
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-h
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Mol. Formula:
C26H22Cl2F21NO2
M.W.:
850.33
Type:
Unknown
AlogP:
10.51
Polar Surface Area:
29.54
HBA:
3
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4559208 Name:
2-Methoxy-5-(2-oxo-1-(3,4,5-trimethoxyphenyl)-2,3-
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Mol. Formula:
C23H21N3O7
M.W.:
451.44
Type:
Unknown
AlogP:
3.11
Polar Surface Area:
124.90
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA4557925 Name:
1-(4-Cyanophenyl)-3-(2,2,4,4-tetramethylthiochroma
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Mol. Formula:
C21H23N3OS
M.W.:
365.50
Type:
Unknown
AlogP:
5.75
Polar Surface Area:
64.92
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4557781 Name:
Reblastatin
Mol. Formula:
C30H46N2O8
M.W.:
562.70
Type:
Unknown
AlogP:
4.48
Polar Surface Area:
149.57
HBA:
8
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA4557595 Name:
(3R,6S,9S,12S,15R)-3-((1H-indol-3-yl)methyl)-15-is
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Mol. Formula:
C37H56N8O7
M.W.:
724.90
Type:
Unknown
AlogP:
0.78
Polar Surface Area:
219.49
HBA:
7
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4557315 Name:
(E)-N-(4-Bromophenyl)-7-cyano-6-((4-hydroxybenzyli
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Mol. Formula:
C22H17BrN4O2
M.W.:
449.31
Type:
Unknown
AlogP:
4.78
Polar Surface Area:
90.41
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4556665 Name:
6-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,3
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Mol. Formula:
C22H21N3O5
M.W.:
407.43
Type:
Unknown
AlogP:
3.42
Polar Surface Area:
87.60
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
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