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ALA1086654 Name:
Phantasmidine
Mol. Formula:
C11H11ClN2O
M.W.:
222.67
Type:
Small molecule
AlogP:
1.72
Polar Surface Area:
34.15
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.68
DETAILS
CLOSE
ALA4092845 Name:
6,7-Dimethoxy-2-ethyl-2-methyl-1,2,3,4-tetrahydroi
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Mol. Formula:
C14H22INO2
M.W.:
363.24
Type:
Small molecule
AlogP:
2.23
Polar Surface Area:
18.46
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.75
DETAILS
CLOSE
ALA4092784 Name:
1-(3-Bromophenethyl)imidazolidin-2-imine
Mol. Formula:
C11H14BrN3
M.W.:
268.16
Type:
Small molecule
AlogP:
1.83
Polar Surface Area:
39.12
HBA:
1
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.88
DETAILS
CLOSE
ALA4092192 Name:
NA
Mol. Formula:
C56H92N16O18S5
M.W.:
1437.78
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4091711 Name:
NA
Mol. Formula:
C59H94N18O17S4
M.W.:
1455.78
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4090594 Name:
(S)-1-(3-(2-Imino-3-(2-(pyridin-3-yl)ethyl)imidazo
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Mol. Formula:
C14H23N7
M.W.:
289.39
Type:
Small molecule
AlogP:
0.10
Polar Surface Area:
113.91
HBA:
3
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA4089797 Name:
NA
Mol. Formula:
C59H94N18O17S5
M.W.:
1487.85
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4089792 Name:
1-(3-Fluorophenethyl)imidazolidin-2-imine
Mol. Formula:
C11H14FN3
M.W.:
207.25
Type:
Small molecule
AlogP:
1.21
Polar Surface Area:
39.12
HBA:
1
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.78
DETAILS
CLOSE
ALA4089727 Name:
NA
Mol. Formula:
C63H95N21O19S4
M.W.:
1578.85
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4089684 Name:
(S)-5-Methyl-1-(pyridin-3-ylmethyl)imidazolidin-2-
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Mol. Formula:
C10H14N4
M.W.:
190.25
Type:
Small molecule
AlogP:
0.81
Polar Surface Area:
52.01
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.73
DETAILS
CLOSE
ALA4089306 Name:
NA
Mol. Formula:
C57H92N18O18S5
M.W.:
1477.81
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4088860 Name:
(R)-(3-(3-Bromophenethyl)-2-iminoimidazolidin-4-yl
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Mol. Formula:
C12H16BrN3O
M.W.:
298.18
Type:
Small molecule
AlogP:
1.19
Polar Surface Area:
59.35
HBA:
2
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA4084130 Name:
2-Benzyl-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro
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Mol. Formula:
C19H24BrNO2
M.W.:
378.31
Type:
Small molecule
AlogP:
3.41
Polar Surface Area:
18.46
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4083525 Name:
6-Benzyloxy-2,2-dimethyl-7-methoxy-1,2,3,4-tetrahy
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Mol. Formula:
C19H24INO2
M.W.:
425.31
Type:
Small molecule
AlogP:
3.41
Polar Surface Area:
18.46
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4081935 Name:
NA
Mol. Formula:
C57H92N18O18S5
M.W.:
1477.81
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4081815 Name:
1-(Pyridin-4-ylmethyl)imidazolidin-2-imine
Mol. Formula:
C9H12N4
M.W.:
176.22
Type:
Small molecule
AlogP:
0.42
Polar Surface Area:
52.01
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.69
DETAILS
CLOSE
ALA4081435 Name:
NA
Mol. Formula:
C57H88N18O20S5
M.W.:
1505.77
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4068559 Name:
1-Phenethylimidazolidin-2-imine
Mol. Formula:
C11H15N3
M.W.:
189.26
Type:
Small molecule
AlogP:
1.07
Polar Surface Area:
39.12
HBA:
1
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.75
DETAILS
CLOSE
ALA4067640 Name:
(S)-1-(2-(6-Chloropyridin-3-yl)ethyl)-5-methylimid
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Mol. Formula:
C11H15ClN4
M.W.:
238.72
Type:
Small molecule
AlogP:
1.51
Polar Surface Area:
52.01
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.79
DETAILS
CLOSE
ALA4084577 Name:
(S)-5-Methyl-1-(2-(pyridin-3-yl)ethyl)imidazolidin
Show More⌵
Mol. Formula:
C11H16N4
M.W.:
204.28
Type:
Small molecule
AlogP:
0.85
Polar Surface Area:
52.01
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.77
DETAILS
CLOSE
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