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ALA4483557 Name:
trans-N-(Cyclohexylmethyl)-3-methoxy-3H-spiro[[2]b
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Mol. Formula:
C21H31NO2
M.W.:
329.48
Type:
Unknown
AlogP:
4.67
Polar Surface Area:
30.49
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4521578 Name:
7-Methoxy-3-[4-(pyridin-3-yl)butyl]-2,3,4,5-tetrah
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Mol. Formula:
C20H26N2O2
M.W.:
326.44
Type:
Unknown
AlogP:
3.00
Polar Surface Area:
45.59
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4521420 Name:
5-Chloro-2-[[2-(hexahydro-1H-azepin-1-yl)ethy]thio
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Mol. Formula:
C15H19ClN2OS
M.W.:
310.85
Type:
Unknown
AlogP:
4.45
Polar Surface Area:
29.27
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4532845 Name:
trans-N-(Cyclohexylmethyl)-3-ethoxy-3,4-dihydrospi
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Mol. Formula:
C23H35NO2
M.W.:
357.54
Type:
Unknown
AlogP:
4.93
Polar Surface Area:
30.49
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4557149 Name:
cis-N-(Cyclohexylmethyl)-3,4-dihydrospiro[[2]benzo
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Mol. Formula:
C21H31NO
M.W.:
313.49
Type:
Unknown
AlogP:
4.57
Polar Surface Area:
21.26
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA4553933 Name:
5-Chloro-3-[2-(hexahydro-1H-azepin-1-yl)ethyl]-2(3
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Mol. Formula:
C15H19ClN2O2
M.W.:
294.78
Type:
Unknown
AlogP:
3.12
Polar Surface Area:
38.38
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4553195 Name:
7-Methoxy-3-[4-(thiophen-2-yl)butyl]-2,3,4,5-tetra
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Mol. Formula:
C19H25NO2S
M.W.:
331.48
Type:
Unknown
AlogP:
3.67
Polar Surface Area:
32.70
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4526998 Name:
omega-Hydroxyfentanyl
Cas Number:
83708-11-6
Mol. Formula:
C22H28N2O2
M.W.:
352.48
Type:
Unknown
AlogP:
3.11
Polar Surface Area:
43.78
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4526748 Name:
2-((5-Chlorothiophen-2-yl)ethynyl)-N-(4-hydroxy-3-
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Mol. Formula:
C20H16ClN5O2S
M.W.:
425.90
Type:
Unknown
AlogP:
3.84
Polar Surface Area:
95.95
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4745051 Name:
5-benzyl-2-(4-fluorobenzyl)-2,3,4,5-tetrahydro-1H-
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Mol. Formula:
C24H24FN
M.W.:
345.46
Type:
Unknown
AlogP:
5.56
Polar Surface Area:
3.24
HBA:
1
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4743313 Name:
N-(2-(5-(phenoxymethyl)isoxazol-3-yloxy)ethyl)cycl
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Mol. Formula:
C16H20N2O3
M.W.:
288.35
Type:
Unknown
AlogP:
2.77
Polar Surface Area:
56.52
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4741910 Name:
trans-1-[2-(3-Phenylcyclohexyl)ethyl]pyrrolidine
Mol. Formula:
C18H27N
M.W.:
257.42
Type:
Unknown
AlogP:
4.45
Polar Surface Area:
3.24
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4741498 Name:
N,N-Dimethy1-2-[(1S,3R)-3-phenylcyclohexyl]ethanam
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Mol. Formula:
C16H25N
M.W.:
231.38
Type:
Unknown
AlogP:
3.91
Polar Surface Area:
3.24
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4741170 Name:
trans-2-fluoro-2-(4-(trifluoromethyl)phenyl)cyclop
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Mol. Formula:
C10H9F4N
M.W.:
219.18
Type:
Unknown
AlogP:
2.60
Polar Surface Area:
26.02
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.72
DETAILS
CLOSE
ALA4740355 Name:
(+/-)-cis-methyl 2-[(1-adamantylamino)methyl]-1-ph
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Mol. Formula:
C22H29NO2
M.W.:
339.48
Type:
Unknown
AlogP:
3.68
Polar Surface Area:
38.33
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA4776178 Name:
N-(2-(4-(4-fluorobenzyl)piperidin-1-yl)ethyl)-N-(4
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Mol. Formula:
C23H28F2N2O
M.W.:
386.49
Type:
Unknown
AlogP:
4.66
Polar Surface Area:
23.55
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4576927 Name:
trans-N-(Cyclohexylmethyl)-3-methoxy-N-methyl-3,4-
Show More⌵
Mol. Formula:
C23H35NO2
M.W.:
357.54
Type:
Unknown
AlogP:
4.88
Polar Surface Area:
21.70
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA4760592 Name:
5-benzyl-2-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1
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Mol. Formula:
C24H31N
M.W.:
333.52
Type:
Unknown
AlogP:
5.80
Polar Surface Area:
3.24
HBA:
1
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4759982 Name:
trans-2-fluoro-2-(4-nitrophenyl)cyclopropanamine
Mol. Formula:
C9H9FN2O2
M.W.:
196.18
Type:
Unknown
AlogP:
1.49
Polar Surface Area:
69.16
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4759075 Name:
(S)-2-benzyl-5-((S)-benzyloxy(phenyl)methyl)-2,3,4
Show More⌵
Mol. Formula:
C31H31NO
M.W.:
433.60
Type:
Unknown
AlogP:
7.13
Polar Surface Area:
12.47
HBA:
2
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
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