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ALA4513992 Name:
(E)-(4-(3-(3-Cyanophenyl)acryloyl)phenyl)boronic a
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Mol. Formula:
C16H12BNO3
M.W.:
277.09
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4513717 Name:
2-(Difluoromethyl)-4-methoxy-1-[4-(4-morpholinyl)-
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Mol. Formula:
C26H36ClF2N9O5S
M.W.:
660.15
Type:
Unknown
AlogP:
0.78
Polar Surface Area:
131.28
HBA:
13
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA4483778 Name:
3,6,9,12,15-Pentaoxaheptadecane-1,17-diyl (1aR,1a'
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Mol. Formula:
C42H58O15
M.W.:
802.91
Type:
Unknown
AlogP:
3.67
Polar Surface Area:
176.41
HBA:
15
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA4475868 Name:
2-((E)-2-((E)-3-(2-((E)-3,3-Dimethyl-1-propylindol
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Mol. Formula:
C48H60ClN5O5S
M.W.:
854.56
Type:
Unknown
AlogP:
8.44
Polar Surface Area:
119.93
HBA:
9
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4538501 Name:
methyl 2-amino-3-[5-(4,4,5,5-tetramethyl-1,3,2-dio
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Mol. Formula:
C18H25BN2O4
M.W.:
344.22
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4537633 Name:
(E)-4-(3-(4-Hydroxy-3-(trifluoromethyl)phenyl)-3-o
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Mol. Formula:
C17H10F3NO2
M.W.:
317.27
Type:
Unknown
AlogP:
4.18
Polar Surface Area:
61.09
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA4525458 Name:
methyl 2-azido-3-[2,7-bis(4,4,5,5-tetramethyl-1,3,
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Mol. Formula:
C24H34B2N4O6
M.W.:
496.18
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4524968 Name:
sodium (2R)-2-[(2R,5S,6R)-6-[(1S,2S,3S,5R)-5-[(3S,
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Mol. Formula:
C54H82N3NaO10
M.W.:
956.25
Type:
Unknown
AlogP:
9.62
Polar Surface Area:
171.69
HBA:
12
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4521599 Name:
N-(4-aminophenyl)-3-(4-hydroxy-3-methoxyphenyl)acr
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Mol. Formula:
C16H16N2O3
M.W.:
284.31
Type:
Unknown
AlogP:
2.63
Polar Surface Area:
84.58
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4520670 Name:
Methyl-(E)-3-(3-(4-hydroxy-3-(trifluoromethyl)phen
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Mol. Formula:
C18H13F3O4
M.W.:
350.29
Type:
Unknown
AlogP:
4.09
Polar Surface Area:
63.60
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4520508 Name:
Methyl-(E)-3-(3-(4-hydroxyphenyl)-3-oxoprop-1-en-1
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Mol. Formula:
C17H14O4
M.W.:
282.30
Type:
Unknown
AlogP:
3.07
Polar Surface Area:
63.60
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4560739 Name:
(E)-4-(3-(3-Cyanophenyl)acryloyl)-N-cyclopropylben
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Mol. Formula:
C19H16N2O3S
M.W.:
352.42
Type:
Unknown
AlogP:
2.90
Polar Surface Area:
87.03
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
Type:
Unknown
AlogP:
3.42
Polar Surface Area:
41.81
HBA:
1
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA4570260 Name:
2-[[4-[4-[2-(difluoromethyl)-4-methoxy-1H-benzimid
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Mol. Formula:
C24H34ClF2N9O4S
M.W.:
618.11
Type:
Unknown
AlogP:
1.01
Polar Surface Area:
122.05
HBA:
12
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4569800 Name:
N-(1-((2R,4R,5R)-3,3-Difluoro-4-hydroxy-5-(hydroxy
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Mol. Formula:
C12H15F2N3O5S
M.W.:
351.33
Type:
Unknown
AlogP:
-0.61
Polar Surface Area:
113.68
HBA:
8
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA4567542 Name:
(E)-3-(4-Bromophenyl)-1-(3-hydroxyphenyl)prop-2-en
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Mol. Formula:
C15H11BrO2
M.W.:
303.16
Type:
Unknown
AlogP:
4.05
Polar Surface Area:
37.30
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4529607 Name:
5-(2-(1,3-dioxo-1-phenylbutan-2-ylidene)hydraziney
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Mol. Formula:
C16H14N2O9S2
M.W.:
442.43
Type:
Unknown
AlogP:
1.13
Polar Surface Area:
187.50
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.12
DETAILS
CLOSE
ALA4517739 Name:
6-benzoyl-2-methyl-5-phenyl-1H-pyrrolo[2,3-d]pyrim
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Mol. Formula:
C20H15N3O2
M.W.:
329.36
Type:
Unknown
AlogP:
3.46
Polar Surface Area:
78.61
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA4743394 Name:
Pyrrospirone G
Mol. Formula:
C32H39NO5
M.W.:
517.67
Type:
Unknown
AlogP:
4.24
Polar Surface Area:
92.70
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA4742679 Name:
4-Amino-6-(4-chlorophenyl)-2-((2-(4-methyl-2-pheny
Show More⌵
Mol. Formula:
C23H16ClN5OS2
M.W.:
478.00
Type:
Unknown
AlogP:
5.66
Polar Surface Area:
105.55
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
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