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ALA4483566 Name:
6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-2,4-di
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Mol. Formula:
C11H10N6
M.W.:
226.24
Type:
Unknown
AlogP:
1.18
Polar Surface Area:
106.50
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.58
DETAILS
CLOSE
ALA4552170 Name:
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
Mol. Formula:
C12H10N4
M.W.:
210.24
Type:
Unknown
AlogP:
2.21
Polar Surface Area:
67.59
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA4764142 Name:
3,7-di-m-tolyl-aaptamine
Mol. Formula:
C27H24N2O2
M.W.:
408.50
Type:
Unknown
AlogP:
6.35
Polar Surface Area:
43.38
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA4858846 Name:
(4-(6-(2,3-dimethylphenyl)-1H-imidazo[4,5-c]pyridi
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Mol. Formula:
C25H25N5O2
M.W.:
427.51
Type:
Unknown
AlogP:
4.46
Polar Surface Area:
83.14
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA5280637 Name:
(2S)-2-((5S,8S,11S,14S)-5-((1H-indol-3-yl)methyl)-
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Mol. Formula:
C78H106N18O9
M.W.:
1439.82
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5279512 Name:
Mol. Formula:
C78H106N28O9
M.W.:
1579.89
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5287303 Name:
(2R)-2-((2R,5R,11R,14R)-5-((1H-indol-3-yl)methyl)-
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Mol. Formula:
C78H106N18O9
M.W.:
1439.82
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5290555 Name:
(2S)-2-((2S,5S,11S,14S)-5-((1H-indol-3-yl)methyl)-
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Mol. Formula:
C78H106N18O9
M.W.:
1439.82
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4097689 Name:
N-(3-((5-Nitro-2-(4-(4-methoxylbenzenesulfonicamid
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Mol. Formula:
C26H23N7O6S
M.W.:
561.58
Type:
Small molecule
AlogP:
4.81
Polar Surface Area:
177.48
HBA:
10
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4096269 Name:
Rhytidone A
Mol. Formula:
C20H22O6
M.W.:
358.39
Type:
Small molecule
AlogP:
1.18
Polar Surface Area:
99.38
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA4095349 Name:
Palmarumycin C5
Mol. Formula:
C21H16O5
M.W.:
348.35
Type:
Small molecule
AlogP:
3.12
Polar Surface Area:
61.83
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4094611 Name:
N-(3-((5-Nitro-2-(4-(3-(4-methylbenzenesulfonicami
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Mol. Formula:
C27H25N7O5S
M.W.:
559.61
Type:
Small molecule
AlogP:
5.41
Polar Surface Area:
168.25
HBA:
9
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4103300 Name:
N-(3-((5-Chloro-2-(4-(4-methylbenzenesulfonicamide
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Mol. Formula:
C26H23ClN6O3S
M.W.:
535.03
Type:
Small molecule
AlogP:
5.85
Polar Surface Area:
125.11
HBA:
7
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA4092347 Name:
N-(3-(5-chloro-2-(3-methyl-4-(4-methylphenylsulfon
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Mol. Formula:
C27H24ClN5O4S
M.W.:
550.04
Type:
Small molecule
AlogP:
6.21
Polar Surface Area:
122.31
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA4091255 Name:
Rhytidenone H
Mol. Formula:
C22H18O5
M.W.:
362.38
Type:
Small molecule
AlogP:
3.71
Polar Surface Area:
61.83
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA4086913 Name:
Preussomerin EG4
Mol. Formula:
C20H12O6
M.W.:
348.31
Type:
Small molecule
AlogP:
2.93
Polar Surface Area:
82.06
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA4086899 Name:
N-(3-((5-Chloro-2-(4-(3-(4-fluorinebenzenesulfonic
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Mol. Formula:
C26H22ClFN6O3S
M.W.:
553.02
Type:
Small molecule
AlogP:
5.99
Polar Surface Area:
125.11
HBA:
7
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4089960 Name:
N-(3-((5-Nitro-2-(4-(3-(4-fluorinebenzenesulfonica
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Mol. Formula:
C26H22FN7O5S
M.W.:
563.57
Type:
Small molecule
AlogP:
5.24
Polar Surface Area:
168.25
HBA:
9
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4074077 Name:
N-(3-((5-Nitro-2-(4-(3-(4-methylbenzenesulfonicami
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Mol. Formula:
C27H25N7O6S
M.W.:
575.61
Type:
Small molecule
AlogP:
5.11
Polar Surface Area:
177.48
HBA:
10
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4071567 Name:
N-(3-(5-chloro-2-(4-(4-methoxyphenylsulfonamido)ph
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Mol. Formula:
C26H22ClN5O5S
M.W.:
552.01
Type:
Small molecule
AlogP:
5.60
Polar Surface Area:
131.54
HBA:
8
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
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