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ALA5091591 Name:
4-fluoro-7-methyl-N-((1R,3S)-3-((S)-3-(N-methylmet
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Mol. Formula:
C22H31FN4O3S
M.W.:
450.58
Type:
Unknown
AlogP:
2.62
Polar Surface Area:
85.51
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5082544 Name:
4-fluoro-7-methyl-N-((1R,3S)-3-((R)-3-(N-methylmet
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Mol. Formula:
C24H37FN4O3S
M.W.:
480.65
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4794734 Name:
(E)-2-(2-(6,7-Dihydroquinolin-8(5H)-ylidene)hydraz
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Mol. Formula:
C16H14N4S
M.W.:
294.38
Type:
Unknown
AlogP:
3.84
Polar Surface Area:
50.17
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4791490 Name:
(E)-8-(2-(1H-Benzo[d]imidazol-2-yl)hydrazono)-5,6,
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Mol. Formula:
C16H15N5
M.W.:
277.33
Type:
Unknown
AlogP:
3.11
Polar Surface Area:
65.96
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA4785055 Name:
(E)-2-(2-(5,6-Dihydro-7H-cyclopenta[b]pyridin-7-yl
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Mol. Formula:
C15H12N4S
M.W.:
280.36
Type:
Unknown
AlogP:
3.45
Polar Surface Area:
50.17
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4470335 Name:
1-but-3-ynoyl-3,5-bis[(4-fluoro-3-nitrophenyl)meth
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Mol. Formula:
C24H17F2N3O6
M.W.:
481.41
Type:
Unknown
AlogP:
4.07
Polar Surface Area:
123.66
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4175807 Name:
4-Chloro-N-(3-(4-fluorophenethoxy)benzyl)-N-(pyrid
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Mol. Formula:
C28H24ClFN2O2
M.W.:
474.96
Type:
Small molecule
AlogP:
6.34
Polar Surface Area:
42.43
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4175496 Name:
4-Methoxy-N-(3-phenethoxybenzyl)-N-(pyridin-4-ylme
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Mol. Formula:
C29H28N2O3
M.W.:
452.55
Type:
Small molecule
AlogP:
5.55
Polar Surface Area:
51.66
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA4175412 Name:
4-Methoxy-N-(3-((3-nitrobenzyl)oxy)benzyl)-N-(pyri
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Mol. Formula:
C28H25N3O5
M.W.:
483.52
Type:
Small molecule
AlogP:
5.42
Polar Surface Area:
94.80
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4175080 Name:
Tert-butyl 4-((3-((4-methoxy-N-(pyridin-4-ylmethyl
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Mol. Formula:
C32H39N3O5
M.W.:
545.68
Type:
Small molecule
AlogP:
5.96
Polar Surface Area:
81.20
HBA:
6
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4174037 Name:
N-(3-((4-fluorobenzyl)oxy)benzyl)-4-methoxy-N-(pyr
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Mol. Formula:
C28H25FN2O3
M.W.:
456.52
Type:
Small molecule
AlogP:
5.65
Polar Surface Area:
51.66
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4171639 Name:
N-(3-(4-bromophenethoxy)benzyl)-4-methoxy-N-(pyrid
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Mol. Formula:
C29H27BrN2O3
M.W.:
531.45
Type:
Small molecule
AlogP:
6.32
Polar Surface Area:
51.66
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4168611 Name:
N-(3-(2-(4-chlorophenyl)-2-oxoethoxy)benzyl)-4-met
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Mol. Formula:
C29H25ClN2O4
M.W.:
500.98
Type:
Small molecule
AlogP:
5.85
Polar Surface Area:
68.73
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4168301 Name:
4-Methoxy-N-(3-(4-methylphenethoxy)benzyl)-N-(pyri
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Mol. Formula:
C30H30N2O3
M.W.:
466.58
Type:
Small molecule
AlogP:
5.86
Polar Surface Area:
51.66
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA4167544 Name:
N-(3-(2-(3-bromophenyl)-2-oxoethoxy)benzyl)-4-meth
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Mol. Formula:
C29H25BrN2O4
M.W.:
545.43
Type:
Small molecule
AlogP:
5.96
Polar Surface Area:
68.73
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4167214 Name:
N-(3-(cyclohexylmethoxy)benzyl)-4-methoxy-N-(pyrid
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Mol. Formula:
C28H32N2O3
M.W.:
444.58
Type:
Small molecule
AlogP:
5.89
Polar Surface Area:
51.66
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4165190 Name:
N-(3-(4-fluorophenethoxy)benzyl)-2-(4-methoxypheny
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Mol. Formula:
C30H29FN2O3
M.W.:
484.57
Type:
Small molecule
AlogP:
5.62
Polar Surface Area:
51.66
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4164865 Name:
4-Methoxy-N-(pyridin-4-ylmethyl)-N-(3-((tetrahydro
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Mol. Formula:
C27H30N2O4
M.W.:
446.55
Type:
Small molecule
AlogP:
4.74
Polar Surface Area:
60.89
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4163763 Name:
4-Methoxy-N-(3-((4-nitrobenzyl)oxy)benzyl)-N-(pyri
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Mol. Formula:
C28H25N3O5
M.W.:
483.52
Type:
Small molecule
AlogP:
5.42
Polar Surface Area:
94.80
HBA:
6
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4163324 Name:
4-Methoxy-N-(pyridin-4-ylmethyl)-N-(3-((4-(trifluo
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Mol. Formula:
C29H25F3N2O3
M.W.:
506.52
Type:
Small molecule
AlogP:
6.53
Polar Surface Area:
51.66
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
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