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ALA1091053 Name:
(S)-2-amino-2-((S)-6-octyl-1,2,3,4-tetrahydronapht
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Mol. Formula:
C21H35NO
M.W.:
317.52
Type:
Small molecule
AlogP:
4.40
Polar Surface Area:
46.25
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA1091052 Name:
(S)-2-amino-2-((R)-6-octyl-1,2,3,4-tetrahydronapht
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Mol. Formula:
C21H35NO
M.W.:
317.52
Type:
Small molecule
AlogP:
4.40
Polar Surface Area:
46.25
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA1091051 Name:
(R)-2-amino-2-((R)-6-octyl-1,2,3,4-tetrahydronapht
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Mol. Formula:
C21H35NO
M.W.:
317.52
Type:
Small molecule
AlogP:
4.40
Polar Surface Area:
46.25
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA1090707 Name:
(S)-2-amino-2-(6-octyl-1,2,3,4-tetrahydronaphthale
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Mol. Formula:
C21H35NO2
M.W.:
333.52
Type:
Small molecule
AlogP:
3.38
Polar Surface Area:
66.48
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4790566 Name:
(S)-2-((3-(4-((4-Phenyl-1H-1,2,3-triazol-1-yl)meth
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Mol. Formula:
C23H25ClN8O
M.W.:
464.96
Type:
Unknown
AlogP:
2.94
Polar Surface Area:
122.74
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA3735192 Name:
N'-(3-(benzyloxy)benzylidene)-3,4,5-trihydroxybenz
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Mol. Formula:
C21H18N2O5
M.W.:
378.38
Type:
Small molecule
AlogP:
3.15
Polar Surface Area:
111.38
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA3736205 Name:
3-(4-(2-hydroxyethyl)phenylamino)-1-(4-propoxyphen
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Cas Number:
342406-05-7
Mol. Formula:
C21H24N2O4
M.W.:
368.43
Type:
Small molecule
AlogP:
2.75
Polar Surface Area:
78.87
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA3735039 Name:
N-(1H-benzo[d]imidazol-2-yl)tetradecanamide
Mol. Formula:
C21H33N3O
M.W.:
343.52
Type:
Small molecule
AlogP:
6.20
Polar Surface Area:
57.78
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4548799 Name:
(S)-2-(3-(3-fluoro-4-((4-(trifluoromethyl)benzyl)o
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Mol. Formula:
C21H20ClF4N5O2
M.W.:
485.87
Type:
Unknown
AlogP:
4.50
Polar Surface Area:
101.26
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4555733 Name:
(S)-2-(3-(4'-(trifluoromethyl)-6-((4-(trifluoromet
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Mol. Formula:
C28H24ClF6N5O2
M.W.:
611.97
Type:
Unknown
AlogP:
7.05
Polar Surface Area:
101.26
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5208455 Name:
[(2R)-1-[[4-[[3-[(4-fluorophenyl)sulfonylmethyl]-5
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Mol. Formula:
C27H30FNO4S
M.W.:
483.61
Type:
---
AlogP:
4.64
Polar Surface Area:
66.84
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5206889 Name:
[(2R)-1-[7-[3-(benzenesulfonylmethyl)-5-methyl-phe
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Mol. Formula:
C26H37NO4S
M.W.:
459.65
Type:
---
AlogP:
4.75
Polar Surface Area:
66.84
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5204905 Name:
[(2R)-1-[[4-[[3-[(4-bromophenyl)sulfonylmethyl]-5-
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Mol. Formula:
C27H30BrNO4S
M.W.:
544.51
Type:
---
AlogP:
5.27
Polar Surface Area:
66.84
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5202631 Name:
[(2R)-1-[[4-[[3-methyl-5-[(4-nitrophenyl)sulfonylm
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Mol. Formula:
C27H30N2O6S
M.W.:
510.61
Type:
---
AlogP:
4.41
Polar Surface Area:
109.98
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA5196994 Name:
[(2R)-1-[[4-[[3-methyl-5-(p-tolylsulfonylmethyl)ph
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Mol. Formula:
C28H33NO4S
M.W.:
479.64
Type:
---
AlogP:
4.81
Polar Surface Area:
66.84
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA5192773 Name:
[1-[[4-[[3-(benzenesulfonylmethyl)-5-methyl-phenox
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Mol. Formula:
C28H33NO4S
M.W.:
479.64
Type:
---
AlogP:
4.89
Polar Surface Area:
66.84
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5192656 Name:
[(2R)-1-[[4-[[3-[(4-chlorophenyl)sulfonylmethyl]-5
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Mol. Formula:
C27H30ClNO4S
M.W.:
500.06
Type:
---
AlogP:
5.16
Polar Surface Area:
66.84
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5190173 Name:
[(2R)-1-[[4-[[3-(cyclopropylsulfonylmethyl)-5-meth
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Mol. Formula:
C24H31NO4S
M.W.:
429.58
Type:
---
AlogP:
3.61
Polar Surface Area:
66.84
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA5174371 Name:
[(2R)-1-[[4-[[3-(benzenesulfonylmethyl)-5-(trifluo
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Mol. Formula:
C27H28F3NO4S
M.W.:
519.59
Type:
---
AlogP:
5.22
Polar Surface Area:
66.84
HBA:
5
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5171997 Name:
2-[[4-[[3-(benzenesulfonylmethyl)-5-methyl-phenoxy
Show More⌵
Mol. Formula:
C25H29NO4S
M.W.:
439.58
Type:
---
AlogP:
3.97
Polar Surface Area:
66.84
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.52
DETAILS
CLOSE
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