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ALA4877112 Name:
(E)-2-(2-(4-(3,4-dichlorophenyl)-5-(2-(4-(2-(2-(2,
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Mol. Formula:
C39H34Cl2N8O11S
M.W.:
893.72
Type:
Unknown
AlogP:
4.16
Polar Surface Area:
268.70
HBA:
14
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA5284018 Name:
5'-Deoxy-5'-(1,2-dioxo-3-hydroxycyclobut-3-en-4-yl
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Mol. Formula:
C22H20F3N6O7+
M.W.:
537.43
Type:
---
AlogP:
-1.31
Polar Surface Area:
196.67
HBA:
11
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5283082 Name:
N-[(5,6-dihydro-6-oxo-1,3-dioxolo[4,5-g]quinolin-7
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Mol. Formula:
C23H25N3O3S
M.W.:
423.54
Type:
---
AlogP:
3.79
Polar Surface Area:
66.59
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5282023 Name:
5'-Deoxy-5'-(1,2-dioxo-3-hydroxycyclobut-3-en-4-yl
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Mol. Formula:
C22H23N6O7+
M.W.:
483.46
Type:
---
AlogP:
-2.02
Polar Surface Area:
196.67
HBA:
11
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5280530 Name:
2-(5-(pyridin-4-yl)-4-p-tolyl-4H-1,2,4-triazol-3-y
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Mol. Formula:
C16H15N5OS
M.W.:
325.40
Type:
---
AlogP:
2.22
Polar Surface Area:
86.69
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5278209 Name:
N7-3-Chlorobenzyl-5'-deoxy-5'-(1,2-dioxo-3-hydroxy
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Mol. Formula:
C21H20ClN6O7+
M.W.:
503.88
Type:
---
AlogP:
-1.67
Polar Surface Area:
196.67
HBA:
11
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5289272 Name:
5-((5-(4-chlorophenylthio)furan-2-yl)methylene)-2-
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Mol. Formula:
C14H9ClN2O2S2
M.W.:
336.83
Type:
---
AlogP:
4.22
Polar Surface Area:
66.09
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA5289039 Name:
2-(2-(5-(3,4-dichlorophenyl)thiazol-2-yl)hydrazine
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Mol. Formula:
C17H10Cl2N4O4S
M.W.:
437.26
Type:
---
AlogP:
4.93
Polar Surface Area:
117.72
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5288894 Name:
5'-Deoxy-5'-(1,2-dioxo-3-hydroxycyclobut-3-en-4-yl
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Mol. Formula:
C21H20FN6O7+
M.W.:
487.42
Type:
---
AlogP:
-2.19
Polar Surface Area:
196.67
HBA:
11
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA4790332 Name:
2-Amino-7-benzyl-9-((2R,3R,4S,5R)-5-(((((((6-((2-(
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Mol. Formula:
C36H44N9O14P2+
M.W.:
888.74
Type:
Unknown
AlogP:
0.05
Polar Surface Area:
330.94
HBA:
15
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA4848695 Name:
(E/Z)-2-(2-(4-(3,4-dichlorophenyl)thiazol-2-yl)hyd
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Cas Number:
315706-13-9
Mol. Formula:
C18H12Cl2N4O4S
M.W.:
451.29
Type:
Unknown
AlogP:
5.12
Polar Surface Area:
117.72
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4757123 Name:
2-Amino-7-benzyl-9-((2R,3R,4S,5R)-5-(((((((2-(2-(2
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Mol. Formula:
C39H50N9O17P2+
M.W.:
978.82
Type:
Unknown
AlogP:
-1.07
Polar Surface Area:
358.63
HBA:
18
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.02
DETAILS
CLOSE
ALA4777401 Name:
NA
Mol. Formula:
C79H128N24O18S2
M.W.:
1766.18
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4776772 Name:
2-Amino-7-benzyl-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-
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Mol. Formula:
C45H61N10O14P2S+
M.W.:
1060.05
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4776237 Name:
2-Amino-7-benzyl-9-((2R,3R,4S,5R)-5-(((((6-((2-(2,
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Mol. Formula:
C36H43N9O11P+
M.W.:
808.77
Type:
Unknown
AlogP:
-0.07
Polar Surface Area:
284.41
HBA:
13
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA5277591 Name:
5'-Deoxy-5'-(1,2-dioxo-3-hydroxycyclobut-3-en-4-yl
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Mol. Formula:
C22H23N6O8+
M.W.:
499.46
Type:
---
AlogP:
-2.32
Polar Surface Area:
205.90
HBA:
12
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA5276591 Name:
5'-Deoxy-N7-methyl-5'-((1H-tetrazol-5-yl)methylcar
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Mol. Formula:
C14H19N10O5+
M.W.:
407.37
Type:
---
AlogP:
-4.38
Polar Surface Area:
213.83
HBA:
11
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5274466 Name:
3-[(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)(4-meth
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Mol. Formula:
C24H32N6O
M.W.:
420.56
Type:
---
AlogP:
4.07
Polar Surface Area:
79.70
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5271529 Name:
5'-Deoxy-5'-(1,2-dioxo-3-hydroxycyclobut-3-en-4-yl
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Mol. Formula:
C24H27N6O7+
M.W.:
511.52
Type:
---
AlogP:
-1.20
Polar Surface Area:
196.67
HBA:
11
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
ALA5270160 Name:
N7-Benzyl-5'-deoxy-5'-((1H-tetrazol-5-yl)methylcar
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Mol. Formula:
C20H23N10O5+
M.W.:
483.47
Type:
---
AlogP:
-2.87
Polar Surface Area:
213.83
HBA:
11
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
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