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Type:
Unknown
AlogP:
2.35
Polar Surface Area:
68.01
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4513729 Name:
Ethyl (1-(6-Amino-2-fluoro-9H-purin-9-yl)-2,2,2-tr
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Mol. Formula:
C10H10Cl3FN6O2
M.W.:
371.59
Type:
Unknown
AlogP:
2.16
Polar Surface Area:
107.95
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA4482946 Name:
N-(3-((1H-Indol-1-yl)methyl)benzyl)-4-bromo-1H-pyr
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Mol. Formula:
C21H18BrN3O
M.W.:
408.30
Type:
Unknown
AlogP:
4.71
Polar Surface Area:
49.82
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA4476033 Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl (2,2,2-
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Mol. Formula:
C14H11Cl4FN8O4
M.W.:
516.10
Type:
Unknown
AlogP:
3.33
Polar Surface Area:
142.89
HBA:
10
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4475588 Name:
2-(Pyridin-2-yl)ethyl (2,2,2-trichloro-1-(2,6-diam
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Mol. Formula:
C15H15Cl3N8O2
M.W.:
445.70
Type:
Unknown
AlogP:
2.22
Polar Surface Area:
146.86
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4474354 Name:
N-(2-aminophenyl)-4-(((7-methoxy-3-methyl-4-oxo-3,
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Mol. Formula:
C24H22N4O3S
M.W.:
446.53
Type:
Unknown
AlogP:
4.07
Polar Surface Area:
99.24
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA4474140 Name:
N-(2-aminophenyl)-4-(((4-chlorophenyl)thio)methyl)
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Mol. Formula:
C20H17ClN2OS
M.W.:
368.89
Type:
Unknown
AlogP:
5.47
Polar Surface Area:
55.12
HBA:
3
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4538745 Name:
N-(2-aminophenyl)-4-(((3-(2-chlorophenyl)-7-methox
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Mol. Formula:
C29H23ClN4O3S
M.W.:
543.05
Type:
Unknown
AlogP:
6.17
Polar Surface Area:
99.24
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA4537439 Name:
N-(2-aminophenyl)-4-(((3,6-dimethyl-4-oxo-3,4-dihy
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Mol. Formula:
C24H22N4O2S
M.W.:
430.53
Type:
Unknown
AlogP:
4.37
Polar Surface Area:
90.01
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4537025 Name:
N-(3-((1H-Benzo[d]imidazol-1-yl)methyl)benzyl)-2-a
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Mol. Formula:
C19H20N4O2
M.W.:
336.40
Type:
Unknown
AlogP:
1.84
Polar Surface Area:
76.02
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4536859 Name:
N-(3beta-Acetyloxy-11-oxo-olean-12-en-28-oyl)aceta
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Mol. Formula:
C48H67BF2N4O5
M.W.:
828.89
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4525670 Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl (2,2,2-
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Mol. Formula:
C18H17Cl3N6O4
M.W.:
487.73
Type:
Unknown
AlogP:
4.18
Polar Surface Area:
124.21
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4521002 Name:
N-(2-amino-5-fluorophenyl)-4-(((3-ethyl-7-methoxy-
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Mol. Formula:
C25H23FN4O3S
M.W.:
478.55
Type:
Unknown
AlogP:
4.69
Polar Surface Area:
99.24
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA4520724 Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl (1-(6-a
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Mol. Formula:
C14H13Cl3FN9O4
M.W.:
496.67
Type:
Unknown
AlogP:
2.26
Polar Surface Area:
168.91
HBA:
11
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA4535846 Name:
(E)-N-(2-aminophenyl)-3-(4-(((7-chloro-3-methyl-4-
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Mol. Formula:
C25H21ClN4O2S
M.W.:
476.99
Type:
Unknown
AlogP:
5.11
Polar Surface Area:
90.01
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4535022 Name:
N-(4-(3-((5-Methylthiophene)-2-sulfonamido)phenyl)
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Mol. Formula:
C16H15N3O3S3
M.W.:
393.52
Type:
Unknown
AlogP:
3.94
Polar Surface Area:
88.16
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA4534744 Name:
2-(2-(5-Benzylisoxazol-3-yl)-3-(4-hydroxy-3-methox
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Mol. Formula:
C34H25NO9
M.W.:
591.57
Type:
Unknown
AlogP:
6.42
Polar Surface Area:
144.62
HBA:
10
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4534569 Name:
N-(3-((1H-Benzo[d]imidazol-1-yl)methyl)benzyl)-4-a
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Mol. Formula:
C19H22N4O
M.W.:
322.41
Type:
Unknown
AlogP:
2.44
Polar Surface Area:
72.94
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4533620 Name:
Ustiloxin G
Mol. Formula:
C28H44N4O10S
M.W.:
628.75
Type:
Unknown
AlogP:
-0.33
Polar Surface Area:
229.61
HBA:
10
HBD:
8
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4533280 Name:
(E)-N-(2-aminophenyl)-3-(4-(((7-chloro-4-oxo-3-pro
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Mol. Formula:
C27H25ClN4O2S
M.W.:
505.04
Type:
Unknown
AlogP:
5.99
Polar Surface Area:
90.01
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.13
DETAILS
CLOSE
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