The store will not work correctly when cookies are disabled.
The page will load shortly, Thanks for your patience!
Select all
ALA5285575 Name:
Bisoflavolin L
Mol. Formula:
C30H17ClO9
M.W.:
556.91
Type:
---
AlogP:
6.50
Polar Surface Area:
150.57
HBA:
9
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5284181 Name:
1,5-dihydroxy-6,7-dimethoxyxanthone
Mol. Formula:
C15H12O6
M.W.:
288.25
Type:
---
AlogP:
2.37
Polar Surface Area:
89.13
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA5284131 Name:
Bisoflavolin K
Mol. Formula:
C30H17ClO8
M.W.:
540.91
Type:
---
AlogP:
6.80
Polar Surface Area:
130.34
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5281916 Name:
methyl 7-amino-5-(4-chlorophenyl)-4-oxo-2-thioxo-2
Show More⌵
Mol. Formula:
C15H12ClN3O4S
M.W.:
365.80
Type:
---
AlogP:
1.95
Polar Surface Area:
110.20
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5281677 Name:
8-amino-7-(4-bromophenyl)-8,9-dihydro-6H,7H-chrome
Show More⌵
Mol. Formula:
C20H14BrN3O3
M.W.:
424.25
Type:
---
AlogP:
3.21
Polar Surface Area:
89.85
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5280676 Name:
7-amino-5-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,5-tetr
Show More⌵
Mol. Formula:
C14H10N4O4
M.W.:
298.26
Type:
---
AlogP:
-0.01
Polar Surface Area:
144.99
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5278869 Name:
7-amino-5-(4-bromophenyl)-2,4-dioxo-2,3,4,5-tetrah
Show More⌵
Mol. Formula:
C14H9BrN4O3
M.W.:
361.15
Type:
---
AlogP:
1.04
Polar Surface Area:
124.76
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA5278310 Name:
(M)-Bisoflavolin F
Mol. Formula:
C31H20O9
M.W.:
536.49
Type:
---
AlogP:
5.73
Polar Surface Area:
150.57
HBA:
9
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5290998 Name:
7-amino-5-(3-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrah
Show More⌵
Mol. Formula:
C14H9N5O5
M.W.:
327.26
Type:
---
AlogP:
0.19
Polar Surface Area:
167.90
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5290334 Name:
Bisoflavolin N
Mol. Formula:
C30H17ClO10
M.W.:
572.91
Type:
---
AlogP:
5.79
Polar Surface Area:
181.80
HBA:
10
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5289550 Name:
7-amino-5-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5-tetr
Show More⌵
Mol. Formula:
C15H12N4O4
M.W.:
312.29
Type:
---
AlogP:
0.29
Polar Surface Area:
133.99
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5289494 Name:
7-amino-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-p
Show More⌵
Mol. Formula:
C14H10N4O3
M.W.:
282.26
Type:
---
AlogP:
0.28
Polar Surface Area:
124.76
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5288113 Name:
Bisoflavolin I
Mol. Formula:
C30H17ClO10
M.W.:
572.91
Type:
---
AlogP:
6.21
Polar Surface Area:
170.80
HBA:
10
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA1098366 Name:
1,1'-(2-hydroxy-5-methyl-1,3-phenylene)bis(methan-
Show More⌵
Mol. Formula:
C43H30N6O5
M.W.:
710.75
Type:
Small molecule
AlogP:
6.37
Polar Surface Area:
148.87
HBA:
11
HBD:
1
#RO5 Violations:
3
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA3735075 Name:
3-[4-(2-Adamantyl)-1,3-thiazol-2-yl]-2-(2,5-dimeth
Show More⌵
Mol. Formula:
C24H28N2O3S2
M.W.:
456.63
Type:
Small molecule
AlogP:
5.41
Polar Surface Area:
51.66
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA3735754 Name:
3-(4-(Adamantan-1-yl)thiazol-2-yl)-2-(4-methoxyphe
Show More⌵
Mol. Formula:
C23H26N2O2S2
M.W.:
426.61
Type:
Small molecule
AlogP:
5.40
Polar Surface Area:
42.43
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA3735844 Name:
3-(4-(Adamantan-1-yl)thiazol-2-yl)-2-(4-nitropheny
Show More⌵
Mol. Formula:
C22H23N3O3S2
M.W.:
441.58
Type:
Small molecule
AlogP:
5.30
Polar Surface Area:
76.34
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA3736098 Name:
4-Adamantan-1-yl-2'-(4-bromo-phenyl)-[2,3']bithiaz
Show More⌵
Mol. Formula:
C22H23BrN2OS2
M.W.:
475.48
Type:
Small molecule
AlogP:
6.15
Polar Surface Area:
33.20
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3735732 Name:
3-(4-(Adamantan-1-yl)thiazol-2-yl)-2-(3-fluorophen
Show More⌵
Mol. Formula:
C22H23FN2OS2
M.W.:
414.57
Type:
Small molecule
AlogP:
5.53
Polar Surface Area:
33.20
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA3735450 Name:
4-Adamantan-1-yl-2'-(2,6-dichloro-phenyl)-[2,3']bi
Show More⌵
Mol. Formula:
C22H22Cl2N2OS2
M.W.:
465.47
Type:
Small molecule
AlogP:
6.70
Polar Surface Area:
33.20
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
Shop By
Filters Level 1 ATC Code Description
Level 2 ATC Code Description