The store will not work correctly when cookies are disabled.
The page will load shortly, Thanks for your patience!
Select all
ALA4876582 Name:
Icacinol
Mol. Formula:
C20H26O7
M.W.:
378.42
Type:
Unknown
AlogP:
0.47
Polar Surface Area:
105.45
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4874510 Name:
(+/-)-5-hydroxy-6-(1-hydroxyethyl)-2,7-dimethoxy-1
Show More⌵
Cas Number:
86108-17-0
Mol. Formula:
C14H14O6
M.W.:
278.26
Type:
Unknown
AlogP:
1.36
Polar Surface Area:
93.06
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4873722 Name:
(+/-)-(1'-Methoxy)-6-ethyl-2,7-dimethoxyjuglone
Mol. Formula:
C15H16O6
M.W.:
292.29
Type:
Unknown
AlogP:
2.02
Polar Surface Area:
82.06
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA4873261 Name:
Misakimycin
Cas Number:
91776-49-7
Mol. Formula:
C13H12O5
M.W.:
248.23
Type:
Unknown
AlogP:
1.62
Polar Surface Area:
72.83
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA5286477 Name:
2-amino-5'-fluoro-2',5-dioxo-5H-spiro[indeno[1,2-b
Show More⌵
Mol. Formula:
C20H10FN3O3
M.W.:
359.32
Type:
---
AlogP:
2.35
Polar Surface Area:
105.21
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA5282982 Name:
1-(7-methoxy-1-(10H-phenothiazine-3-carbonyl)indol
Show More⌵
Mol. Formula:
C24H18N2O3S
M.W.:
414.49
Type:
---
AlogP:
5.59
Polar Surface Area:
59.81
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5279905 Name:
5-Chloro-N4-(4-methoxyphenyl)-N4,2-dimethyl-N6-pro
Show More⌵
Mol. Formula:
C16H21ClN4O
M.W.:
320.82
Type:
---
AlogP:
4.04
Polar Surface Area:
50.28
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA5278050 Name:
Ohmline
Mol. Formula:
C32H62O13
M.W.:
654.84
Type:
---
AlogP:
1.14
Polar Surface Area:
196.99
HBA:
13
HBD:
7
#RO5 Violations:
3
#Rotatable Bonds:
25
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA4864359 Name:
14alpha-methoxyhumirianthol
Mol. Formula:
C21H28O7
M.W.:
392.45
Type:
Unknown
AlogP:
1.12
Polar Surface Area:
94.45
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4864288 Name:
Icacinlactone M
Mol. Formula:
C20H30O4
M.W.:
334.46
Type:
Unknown
AlogP:
2.82
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4863493 Name:
Icacinlactone N 3-O-beta-D-glucopyranoside; 14,16-
Show More⌵
Mol. Formula:
C26H32O11
M.W.:
520.53
Type:
Unknown
AlogP:
-0.25
Polar Surface Area:
168.28
HBA:
11
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA5289810 Name:
2-amino-5'-chloro-2',5-dioxo-5H-spiro[indeno[1,2-b
Show More⌵
Mol. Formula:
C20H10ClN3O3
M.W.:
375.77
Type:
---
AlogP:
2.86
Polar Surface Area:
105.21
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4857434 Name:
Kirschsteinin B; (+/-)-6-ethyl-3-[1-(5,8-dihydro-1
Show More⌵
Mol. Formula:
C27H24O10
M.W.:
508.48
Type:
Unknown
AlogP:
3.58
Polar Surface Area:
156.66
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA1096195 Name:
7-methy-10-hydroxyhomocamptothecin
Mol. Formula:
C22H20N2O5
M.W.:
392.41
Type:
Small molecule
AlogP:
2.48
Polar Surface Area:
101.65
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA1098976 Name:
(12S,27S)-12-[2-(methylamino)ethyl]-27-(propan-2-y
Show More⌵
Mol. Formula:
C28H25N9O8
M.W.:
615.56
Type:
Small molecule
AlogP:
3.80
Polar Surface Area:
226.41
HBA:
15
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4791129 Name:
1-(Pyridin-2-yl)nonadecan-2-ol
Mol. Formula:
C24H43NO
M.W.:
361.61
Type:
Unknown
AlogP:
7.25
Polar Surface Area:
33.12
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4789801 Name:
2-(2-methoxyhenicosyl)pyridine
Mol. Formula:
C27H49NO
M.W.:
403.70
Type:
Unknown
AlogP:
8.68
Polar Surface Area:
22.12
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
21
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4848730 Name:
Icacinlactone H 2-O-beta-D-glucopyranoside; 3beta,
Show More⌵
Mol. Formula:
C26H30O12
M.W.:
534.51
Type:
Unknown
AlogP:
-0.91
Polar Surface Area:
177.51
HBA:
12
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4848609 Name:
3R,4S-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dehy
Show More⌵
Mol. Formula:
C14H18O5
M.W.:
266.29
Type:
Unknown
AlogP:
1.60
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA2299062 Name:
N-(2-Chlorobenzyl)-2-[(3-methyl-2-oxo-2H-[1,2,4]tr
Show More⌵
Mol. Formula:
C20H16ClN5O2S
M.W.:
425.90
Type:
Small molecule
AlogP:
3.01
Polar Surface Area:
89.25
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
Shop By
Filters Level 1 ATC Code Description
Level 2 ATC Code Description