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ALA3145429 Name:
1-(1H-benzo[d]imidazol-2-yl)-4-benzyl-3-methyl-1H-
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Mol. Formula:
C18H16N4O
M.W.:
304.35
Type:
Small molecule
AlogP:
2.94
Polar Surface Area:
66.47
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA3145427 Name:
3,4-dimethyl-1-(5-methyl-1H-benzo[d]imidazol-2-yl)
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Mol. Formula:
C13H14N4O
M.W.:
242.28
Type:
Small molecule
AlogP:
1.97
Polar Surface Area:
66.47
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA3133725 Name:
(5aS,5bS,8aS,9aR)-1,2-Dichloro-8-ethyl-8a-hydroxy-
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Mol. Formula:
C13H14Cl2N4O3
M.W.:
345.19
Type:
Small molecule
AlogP:
0.95
Polar Surface Area:
86.60
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
ALA3133724 Name:
(5aS,5bS,8aS,9aR)-1-Chloro-8-ethyl-8a-hydroxy-5,5a
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Mol. Formula:
C13H15ClN4O3
M.W.:
310.74
Type:
Small molecule
AlogP:
0.30
Polar Surface Area:
86.60
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA3133723 Name:
(5aS,5bS,8aS,9aR)-1-Chloro-8a-hydroxy-8-methyl-5,5
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Mol. Formula:
C12H13ClN4O3
M.W.:
296.71
Type:
Small molecule
AlogP:
-0.09
Polar Surface Area:
86.60
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA2324953 Name:
NPY-BBB0
Mol. Formula:
C84H136N28O20
M.W.:
1858.19
Type:
Protein
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA2029401 Name:
32-(8-(6-(4-[18F]Fluorobenzamido)hexanoyl)-8,9-dih
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Mol. Formula:
C50H67FN6O14
M.W.:
994.11
Type:
Small molecule
AlogP:
3.94
Polar Surface Area:
229.59
HBA:
16
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
38
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA2029400 Name:
ADIBO-[18F]Fluorobenzamide
Mol. Formula:
C28H25FN2O2
M.W.:
439.52
Type:
Small molecule
AlogP:
5.06
Polar Surface Area:
49.41
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4095482 Name:
(S)-2-((S)-1-((S)-2-((S)-2-((S)-3-(1H-indol-3-yl)-
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Mol. Formula:
C45H57N13O7S
M.W.:
924.10
Type:
Small molecule
AlogP:
1.28
Polar Surface Area:
329.39
HBA:
9
HBD:
13
#RO5 Violations:
2
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA4078974 Name:
(S)-2-((S)-3-(1H-indol-3-yl)-2-(2-(thiophen-2-yl)a
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Mol. Formula:
C28H26N4O4S
M.W.:
514.61
Type:
Small molecule
AlogP:
3.79
Polar Surface Area:
127.08
HBA:
4
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.19
DETAILS
CLOSE
ALA4072413 Name:
(S)-2-((S)-2-((S)-1-((S)-2-((S)-2-((S)-3-(1H-indol
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Mol. Formula:
C49H64N16O8S
M.W.:
1037.22
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA3425599 Name:
(S)-2-((S)-3-(1H-indol-3-yl)-2-(2-(thiophen-2-yl)a
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Mol. Formula:
C26H25N3O4S
M.W.:
475.57
Type:
Small molecule
AlogP:
3.31
Polar Surface Area:
111.29
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA3425598 Name:
(S)-2-((S)-1-((S)-2-((S)-2-((S)-3-(1H-indol-3-yl)-
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Mol. Formula:
C43H56N12O7S
M.W.:
885.06
Type:
Small molecule
AlogP:
0.80
Polar Surface Area:
313.60
HBA:
9
HBD:
12
#RO5 Violations:
2
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA3425597 Name:
(S)-2-((S)-4-methyl-2-(3-phenylpropanamido)pentana
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Mol. Formula:
C24H30N2O4
M.W.:
410.51
Type:
Small molecule
AlogP:
2.96
Polar Surface Area:
95.50
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA3425596 Name:
(S)-2-((S)-1-((6S,9S,12S)-1-amino-9-benzyl-1-imino
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Mol. Formula:
C41H61N11O7
M.W.:
820.01
Type:
Small molecule
AlogP:
0.45
Polar Surface Area:
297.81
HBA:
8
HBD:
11
#RO5 Violations:
2
#Rotatable Bonds:
24
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA3425595 Name:
(S)-2-((S)-3-(1H-indol-3-yl)-2-(2-(thiophen-2-yl)a
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Mol. Formula:
C26H24FN3O4S
M.W.:
493.56
Type:
Small molecule
AlogP:
3.45
Polar Surface Area:
111.29
HBA:
4
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA3425594 Name:
(S)-2-((S)-1-((6S,9S,12S)-12-((1H-indol-3-yl)methy
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Mol. Formula:
C43H55FN12O7S
M.W.:
903.05
Type:
Small molecule
AlogP:
0.94
Polar Surface Area:
313.60
HBA:
9
HBD:
12
#RO5 Violations:
2
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.03
DETAILS
CLOSE
ALA3425590 Name:
(S)-2-((S)-2-((S)-1-((6S,9S,12S)-12-((1H-indol-3-y
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Mol. Formula:
C47H63N15O8S
M.W.:
998.18
Type:
Small molecule
AlogP:
-1.44
Polar Surface Area:
391.58
HBA:
11
HBD:
14
#RO5 Violations:
3
#Rotatable Bonds:
27
Passes Ro3:
N
QED Weighted:
0.02
DETAILS
CLOSE
ALA3400964 Name:
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[(3R)-3-a
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Mol. Formula:
C29H28Cl2FN5O6
M.W.:
632.48
Type:
Small molecule
AlogP:
3.87
Polar Surface Area:
138.73
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA3400963 Name:
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-[(3R)-3-a
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Mol. Formula:
C29H29Cl2N5O6
M.W.:
614.49
Type:
Small molecule
AlogP:
3.73
Polar Surface Area:
138.73
HBA:
11
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
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