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ALA4466073 Name:
4-(N-neo-pentylaminomethyl)phenyl(2-naphthyl)carbo
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Cas Number:
1632296-54-8
Mol. Formula:
C23H25NO3
M.W.:
363.46
Type:
Unknown
AlogP:
5.55
Polar Surface Area:
47.56
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4472933 Name:
(S,E)-2-cyano-3-(1,8-naphthyridin-2-yl)-N-(1-pheny
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Mol. Formula:
C22H20N4O
M.W.:
356.43
Type:
Unknown
AlogP:
4.19
Polar Surface Area:
78.67
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
Type:
Small molecule
AlogP:
0.77
Polar Surface Area:
109.27
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA5094952 Name:
(2S)-1-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-
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Mol. Formula:
C21H21N3O6S
M.W.:
443.48
Type:
Unknown
AlogP:
0.73
Polar Surface Area:
109.27
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5094918 Name:
1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,
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Mol. Formula:
C26H29N3O7S
M.W.:
527.60
Type:
Unknown
AlogP:
1.17
Polar Surface Area:
108.85
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA5094749 Name:
1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,
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Mol. Formula:
C23H24N2O6S
M.W.:
456.52
Type:
Unknown
AlogP:
1.38
Polar Surface Area:
96.38
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA5094678 Name:
N-[2-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)
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Mol. Formula:
C23H25N3O7S2
M.W.:
519.60
Type:
Unknown
AlogP:
0.89
Polar Surface Area:
122.32
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5094550 Name:
3-(cyclopentylmethylamino)-1-[5-(2,3-dihydro-1,4-b
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Mol. Formula:
C29H35N3O5S
M.W.:
537.68
Type:
Unknown
AlogP:
3.16
Polar Surface Area:
88.18
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
ALA5094541 Name:
N-[[(3R)-1-[(2S)-2-hydroxy-2-phenyl-acetyl]pyrroli
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Mol. Formula:
C21H24N2O6S
M.W.:
432.50
Type:
Unknown
AlogP:
1.32
Polar Surface Area:
105.17
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5094485 Name:
[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,3-di
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Mol. Formula:
C23H22N2O3
M.W.:
374.44
Type:
Unknown
AlogP:
3.45
Polar Surface Area:
54.82
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5094476 Name:
(2S)-1-(5-chroman-7-ylsulfonyl-1,3,4,6-tetrahydrop
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Mol. Formula:
C23H24N2O5S
M.W.:
440.52
Type:
Unknown
AlogP:
1.89
Polar Surface Area:
87.15
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5094457 Name:
2-cyclohexyl-1-[5-(2,3-dihydro-1,4-benzodioxin-6-y
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Mol. Formula:
C24H33N3O5S
M.W.:
475.61
Type:
Unknown
AlogP:
2.02
Polar Surface Area:
88.18
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5093538 Name:
(2S)-1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfoni
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Mol. Formula:
C22H23N3O5S
M.W.:
441.51
Type:
Unknown
AlogP:
1.97
Polar Surface Area:
103.16
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA5093527 Name:
1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,
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Mol. Formula:
C26H30FN3O5S
M.W.:
515.61
Type:
Unknown
AlogP:
2.36
Polar Surface Area:
88.18
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5093513 Name:
[2-(3-fluoro-4-oxazol-2-yl-phenyl)sulfonyl-1,3-dih
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Mol. Formula:
C27H26FN5O4S
M.W.:
535.60
Type:
Unknown
AlogP:
3.07
Polar Surface Area:
111.80
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5093431 Name:
2-(azetidin-3-yloxy)-1-[5-(2,3-dihydro-1,4-benzodi
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Mol. Formula:
C25H27N3O6S
M.W.:
497.57
Type:
Unknown
AlogP:
1.33
Polar Surface Area:
97.41
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5093412 Name:
1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,
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Mol. Formula:
C27H32N4O5S2
M.W.:
556.71
Type:
Unknown
AlogP:
1.89
Polar Surface Area:
85.79
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5093224 Name:
(3-chlorophenyl)-[2-(2,3-dihydro-1,4-benzodioxin-6
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Mol. Formula:
C22H19ClN2O5S
M.W.:
458.92
Type:
Unknown
AlogP:
3.29
Polar Surface Area:
88.96
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5093145 Name:
1-[5-(1,3-benzothiazol-5-ylsulfonyl)-1,3,4,6-tetra
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Mol. Formula:
C25H28N4O5S2
M.W.:
528.66
Type:
Unknown
AlogP:
2.26
Polar Surface Area:
103.28
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5093097 Name:
1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,
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Mol. Formula:
C24H27N3O5S
M.W.:
469.56
Type:
Unknown
AlogP:
1.60
Polar Surface Area:
88.18
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
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