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ALA4570634 Name:
(S)-N-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl
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Mol. Formula:
C23H20N4O2
M.W.:
384.44
Type:
Unknown
AlogP:
3.97
Polar Surface Area:
60.37
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4743916 Name:
5'-(tert-butyl)-6-chloro-4'-(3-chlorophenyl)-5-flu
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Mol. Formula:
C26H22Cl2FN3O
M.W.:
482.39
Type:
Unknown
AlogP:
6.99
Polar Surface Area:
44.70
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4796412 Name:
5'-(tert-butyl)-6-chloro-4'-(3-chloro-2-fluorophen
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Mol. Formula:
C26H21Cl2F2N3O
M.W.:
500.38
Type:
Unknown
AlogP:
7.13
Polar Surface Area:
44.70
HBA:
3
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4643802 Name:
Kaempferol 3-O-beta-D-glucopyranosyl-(1->2)-beta-D
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Mol. Formula:
C33H40O20
M.W.:
756.66
Type:
Unknown
AlogP:
-3.92
Polar Surface Area:
328.35
HBA:
20
HBD:
12
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA4639273 Name:
Quercetin 3-O-beta-D-glucopyranosyl-(1->2)-beta-D-
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Mol. Formula:
C33H40O21
M.W.:
772.66
Type:
Unknown
AlogP:
-4.21
Polar Surface Area:
348.58
HBA:
21
HBD:
13
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4755217 Name:
5'-tert-butyl-6-chloro-4'-(3-chloro-2-fluorophenyl
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Mol. Formula:
C26H20Cl3F2N3O
M.W.:
534.82
Type:
Unknown
AlogP:
7.78
Polar Surface Area:
44.70
HBA:
3
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5303519 Name:
BAY-024
Mol. Formula:
C22H21F6N7O2S
M.W.:
561.51
Type:
---
AlogP:
5.06
Polar Surface Area:
105.16
HBA:
9
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5303463 Name:
BAY-5627
Mol. Formula:
C26H36N6O5S
M.W.:
544.68
Type:
---
AlogP:
2.12
Polar Surface Area:
107.55
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5303452 Name:
BAY-153
Mol. Formula:
C32H42F5NO3S
M.W.:
615.75
Type:
---
AlogP:
8.34
Polar Surface Area:
57.61
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5303443 Name:
BAY-593
Mol. Formula:
C26H31F3N2O3
M.W.:
476.54
Type:
---
AlogP:
4.49
Polar Surface Area:
50.80
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5303439 Name:
BAY-504
Mol. Formula:
C28H30FN5O2
M.W.:
487.58
Type:
---
AlogP:
4.14
Polar Surface Area:
82.50
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5303383 Name:
BAY-1317
Mol. Formula:
C20H20N4O2
M.W.:
348.41
Type:
---
AlogP:
3.79
Polar Surface Area:
78.58
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA5187858 Name:
(4aR,7R,8R,8aS)-hexahydropyrano[2,3-e][1,2]oxabori
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Mol. Formula:
C7H13BO6
M.W.:
203.99
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5092977 Name:
Bafilomycine
Mol. Formula:
C35H58O9
M.W.:
622.84
Type:
Unknown
AlogP:
4.69
Polar Surface Area:
134.91
HBA:
9
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5086397 Name:
N-(3-((4-((3-aminopropyl)amino)butyl)amino)propyl)
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Mol. Formula:
C24H45Cl3N4O5
M.W.:
576.01
Type:
Unknown
AlogP:
1.19
Polar Surface Area:
131.78
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA5084036 Name:
6-hydroxy-7,8-dimethoxy-4,4,5-trimethylchroman-2-o
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Mol. Formula:
C14H18O5
M.W.:
266.29
Type:
Unknown
AlogP:
2.30
Polar Surface Area:
64.99
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4218273 Name:
2-{[4-(3,4,6-Tri-O-acetyl-2-deoxy-2-fluoro-beta-D-
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Mol. Formula:
C34H41Cl2FN2O11
M.W.:
743.61
Type:
Small molecule
AlogP:
4.34
Polar Surface Area:
156.00
HBA:
12
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4218190 Name:
N-(3,4,6-Tri-O-acetyl-2-deoxy-2-fluoro-beta-D-gluc
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Mol. Formula:
C28H38Cl2FN3O9
M.W.:
650.53
Type:
Small molecule
AlogP:
2.02
Polar Surface Area:
149.57
HBA:
10
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA4218156 Name:
(3,4,6-Tri-O-acetyl-2-deoxy-2-fluoro-beta-D-glucop
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Mol. Formula:
C35H43Cl2FN4O11
M.W.:
785.65
Type:
Small molecule
AlogP:
4.09
Polar Surface Area:
187.90
HBA:
12
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4218146 Name:
4-(3,4,6-Tri-O-acetyl-2-deoxy-2-fluoro-beta-D-gluc
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Mol. Formula:
C33H39Cl2FN2O10
M.W.:
713.58
Type:
Small molecule
AlogP:
4.12
Polar Surface Area:
146.77
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
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