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ALA1093699 Name:
(S)-N-(4-(cyclohexylmethoxy)-5-fluoro-2-methoxyben
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Mol. Formula:
C20H29FN2O3
M.W.:
364.46
Type:
Small molecule
AlogP:
3.16
Polar Surface Area:
59.59
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA1093698 Name:
(S)-N-(3,5-difluoro-4-((1s,4s)-4-methylcyclohexylo
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Mol. Formula:
C19H26F2N2O2
M.W.:
352.43
Type:
Small molecule
AlogP:
3.29
Polar Surface Area:
50.36
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA1091106 Name:
(S)-N-(4-(4,4-dimethylcyclohexyloxy)-2,5-difluorob
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Cas Number:
1224048-10-5
Mol. Formula:
C20H28F2N2O2
M.W.:
366.45
Type:
Small molecule
AlogP:
3.68
Polar Surface Area:
50.36
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
Type:
Small molecule
AlogP:
3.55
Polar Surface Area:
59.59
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA1091104 Name:
(S)-N-(4-(benzyloxy)benzyl)pyrrolidine-2-carboxami
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Mol. Formula:
C19H22N2O2
M.W.:
310.40
Type:
Small molecule
AlogP:
2.63
Polar Surface Area:
50.36
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA1090757 Name:
(S)-N-(4-(3-fluorophenoxy)benzyl)pyrrolidine-2-car
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Mol. Formula:
C18H19FN2O2
M.W.:
314.36
Type:
Small molecule
AlogP:
2.99
Polar Surface Area:
50.36
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA1092167 Name:
(S)-N-((3',5'-dichlorobiphenyl-4-yl)methyl)pyrroli
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Mol. Formula:
C18H18Cl2N2O
M.W.:
349.26
Type:
Small molecule
AlogP:
4.03
Polar Surface Area:
41.13
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA1092029 Name:
(S)-N-(4-cyclohexylbenzyl)pyrrolidine-2-carboxamid
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Mol. Formula:
C18H26N2O
M.W.:
286.42
Type:
Small molecule
AlogP:
3.10
Polar Surface Area:
41.13
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA1090720 Name:
3-(aminomethyl)-N-(4-(trifluoromethoxy)benzyl)benz
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Mol. Formula:
C16H15F3N2O2
M.W.:
324.30
Type:
Small molecule
AlogP:
2.97
Polar Surface Area:
64.35
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA1090400 Name:
N-(4-(trifluoromethoxy)benzyl)pyrrolidine-3-carbox
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Mol. Formula:
C13H15F3N2O2
M.W.:
288.27
Type:
Small molecule
AlogP:
1.81
Polar Surface Area:
50.36
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA1090399 Name:
(S)-N-(4-(trifluoromethoxy)benzyl)pyrrolidine-2-ca
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Mol. Formula:
C13H15F3N2O2
M.W.:
288.27
Type:
Small molecule
AlogP:
1.95
Polar Surface Area:
50.36
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA1090398 Name:
(2S,6R)-benzyl 2,6-dimethylpiperazine-1-carboxylat
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Cas Number:
771469-22-8
Mol. Formula:
C14H20N2O2
M.W.:
248.33
Type:
Small molecule
AlogP:
2.01
Polar Surface Area:
41.57
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.87
DETAILS
CLOSE
ALA1090397 Name:
N-((4'-chloro-3-fluorobiphenyl-4-yl)methyl)piperaz
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Mol. Formula:
C18H19ClFN3O
M.W.:
347.82
Type:
Small molecule
AlogP:
3.26
Polar Surface Area:
44.37
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA1091452 Name:
(2S,6R)-4-((3,5-dimethylisoxazol-4-yl)methoxy)-2,6
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Mol. Formula:
C20H25F2N3O4
M.W.:
409.43
Type:
Small molecule
AlogP:
3.47
Polar Surface Area:
76.83
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA1079079 Name:
[125I]1-(2-iodophenyl)-4-cyano-5-(4-methoxyphenyl)
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Mol. Formula:
C23H22IN5O2
M.W.:
525.37
Type:
Small molecule
AlogP:
4.15
Polar Surface Area:
83.18
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4790992 Name:
(+)-(2-(5-(Allyloxy)benzofuran-4-yl)cyclopropyl)-m
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Mol. Formula:
C15H18ClNO2
M.W.:
279.77
Type:
Unknown
AlogP:
3.06
Polar Surface Area:
48.39
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4790652 Name:
(+)-(2-(5-Ethoxy-2,3-dihydrobenzofuran-4-yl)cyclop
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Mol. Formula:
C14H20ClNO2
M.W.:
269.77
Type:
Unknown
AlogP:
2.08
Polar Surface Area:
44.48
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4790145 Name:
N-(2-(2-(Cyclopropylmethyl)-6-methoxyquinazolin-4-
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Mol. Formula:
C16H19N3O2
M.W.:
285.35
Type:
Unknown
AlogP:
2.19
Polar Surface Area:
64.11
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.91
DETAILS
CLOSE
ALA3735261 Name:
N-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-N-(3,4-dimet
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Mol. Formula:
C31H39NO7
M.W.:
537.65
Type:
Small molecule
AlogP:
5.18
Polar Surface Area:
67.85
HBA:
8
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA3735434 Name:
N-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-N-(3,4-dimet
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Mol. Formula:
C30H37NO6
M.W.:
507.63
Type:
Small molecule
AlogP:
5.17
Polar Surface Area:
58.62
HBA:
7
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
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