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ALA5206615 Name:
7-(thiophen-2-yl)-10,11-methylenedioxy-20(S)-campt
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Mol. Formula:
C25H18N2O6S
M.W.:
474.49
Type:
---
AlogP:
3.54
Polar Surface Area:
99.88
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5202993 Name:
7-(1-methyl-1H-pyrazol-4-yl)-10,11-methyleneclioxy
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Mol. Formula:
C25H20N4O6
M.W.:
472.46
Type:
---
AlogP:
2.21
Polar Surface Area:
117.70
HBA:
10
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5202359 Name:
7-(furan-3-yl)-10,11-methylenedioxy-20(S)-carnptot
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Mol. Formula:
C25H18N2O7
M.W.:
458.43
Type:
---
AlogP:
3.07
Polar Surface Area:
113.02
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5198898 Name:
7-(furan-2-yl)-10,11-methylenedioxy-20(S)-camptoth
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Mol. Formula:
C25H18N2O7
M.W.:
458.43
Type:
---
AlogP:
3.07
Polar Surface Area:
113.02
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5197149 Name:
7-(3,5-bis(trifluoromethyl)phenyl)-10,11-methylene
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Mol. Formula:
C29H18F6N2O6
M.W.:
604.46
Type:
---
AlogP:
5.51
Polar Surface Area:
99.88
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA5191443 Name:
7-(4-(hydroxymethyl)phenyl)-10,11-medzylenedioxy-2
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Mol. Formula:
C28H22N2O7
M.W.:
498.49
Type:
---
AlogP:
2.97
Polar Surface Area:
120.11
HBA:
9
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5176513 Name:
7-(thiophen-3-yl)-10,11-methylenedioxy-20(S)-campt
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Mol. Formula:
C25H18N2O6S
M.W.:
474.49
Type:
---
AlogP:
3.54
Polar Surface Area:
99.88
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5171746 Name:
7-(pyridin-3-yl)-10,11-methylenedioxy-20(S)-campto
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Mol. Formula:
C26H19N3O6
M.W.:
469.45
Type:
---
AlogP:
2.87
Polar Surface Area:
112.77
HBA:
9
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA1278216 Name:
N-(2-chloro-5-(trifluoromethyl)phenyl)quinoxaline-
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Cas Number:
720677-78-1
Mol. Formula:
C16H9ClF3N3O
M.W.:
351.71
Type:
Small molecule
AlogP:
4.55
Polar Surface Area:
54.88
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA1275633 Name:
1-p-tolyl-4-(trifluoromethyl)-[1,2,4]triazolo[4,3-
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Cas Number:
343372-45-2
Mol. Formula:
C17H11F3N4
M.W.:
328.30
Type:
Small molecule
AlogP:
4.27
Polar Surface Area:
43.08
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA1278130 Name:
1-(2,6-dichlorophenyl)-4-(trifluoromethyl)-[1,2,4]
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Cas Number:
343372-37-2
Mol. Formula:
C16H7Cl2F3N4
M.W.:
383.16
Type:
Small molecule
AlogP:
5.27
Polar Surface Area:
43.08
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA1278129 Name:
4-(4-methylpiperazin-1-yl)-1-phenyl-[1,2,4]triazol
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Mol. Formula:
C20H20N6
M.W.:
344.42
Type:
Small molecule
AlogP:
2.70
Polar Surface Area:
49.56
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA1278036 Name:
1-(2-fluorophenyl)-4-(trifluoromethyl)-[1,2,4]tria
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Cas Number:
338962-33-7
Mol. Formula:
C16H8F4N4
M.W.:
332.26
Type:
Small molecule
AlogP:
4.10
Polar Surface Area:
43.08
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA1278035 Name:
1-(4-chlorophenyl)-4-(trifluoromethyl)-[1,2,4]tria
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Cas Number:
338773-13-0
Mol. Formula:
C16H8ClF3N4
M.W.:
348.72
Type:
Small molecule
AlogP:
4.62
Polar Surface Area:
43.08
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA1277325 Name:
11-(3,4-Dichloro-phenyl)-3-(2-methoxy-ethyl)-3,11-
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Mol. Formula:
C21H15Cl2N5O2
M.W.:
440.29
Type:
Small molecule
AlogP:
4.24
Polar Surface Area:
74.83
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA1277231 Name:
3-Allyl-11-butyl-3,11-dihydro-1,3,5,10,11-pentaaza
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Mol. Formula:
C19H19N5O
M.W.:
333.40
Type:
Small molecule
AlogP:
3.28
Polar Surface Area:
65.60
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA1277230 Name:
11-(3,5-dimethyl-phenyl)-3-(2-methoxy-ethyl)-2-met
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Mol. Formula:
C24H23N5O2
M.W.:
413.48
Type:
Small molecule
AlogP:
3.86
Polar Surface Area:
74.83
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA1277140 Name:
7,9-dimethyl-11-m-tolyl-6-trifluoromethyl-7H-5,7,9
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Mol. Formula:
C23H17F3N4O2
M.W.:
438.41
Type:
Small molecule
AlogP:
4.03
Polar Surface Area:
61.30
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA1277139 Name:
7,9-dimethyl-6-p-tolyl-7H-5,7,9,11a-tetraaza-benzo
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Mol. Formula:
C22H18N4O2
M.W.:
370.41
Type:
Small molecule
AlogP:
3.01
Polar Surface Area:
61.30
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA1277052 Name:
6-(4-methoxyphenyl)-7,9-dimethyl-7H-5,7,9,11a-tetr
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Mol. Formula:
C22H18N4O3
M.W.:
386.41
Type:
Small molecule
AlogP:
2.71
Polar Surface Area:
70.53
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
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