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ALA5283859 Name:
New methylene blue
Mol. Formula:
C18H22ClN3S
M.W.:
347.92
Type:
---
AlogP:
4.37
Polar Surface Area:
37.28
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA1094347 Name:
4-{3-[6-(3-Benzo[1,3]dioxol-5-yl-5-pyrimidin-5-yl-
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Mol. Formula:
C36H38N2O8
M.W.:
626.71
Type:
Small molecule
AlogP:
6.98
Polar Surface Area:
137.30
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA1094346 Name:
4-{3-[6-(3-Benzo[1,3]dioxol-5-yl-5-pyridin-4-yl-ph
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Mol. Formula:
C37H39NO8
M.W.:
625.72
Type:
Small molecule
AlogP:
7.59
Polar Surface Area:
124.41
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
Type:
Small molecule
AlogP:
8.25
Polar Surface Area:
111.52
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA1099331 Name:
4-{2-(2-Carboxyethyl)-3-[6-(5-thiophen-3-ylbipheny
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Mol. Formula:
C35H38O6S
M.W.:
586.75
Type:
Small molecule
AlogP:
8.52
Polar Surface Area:
93.06
HBA:
5
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA4089849 Name:
11beta-chloro-11-deoxykuroshine A
Mol. Formula:
C30H38ClNO6
M.W.:
544.09
Type:
Small molecule
AlogP:
3.87
Polar Surface Area:
82.14
HBA:
7
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4089603 Name:
kuroshine E
Mol. Formula:
C30H37NO7
M.W.:
523.63
Type:
Small molecule
AlogP:
2.83
Polar Surface Area:
99.21
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4068747 Name:
18-epi-kuroshine A
Mol. Formula:
C30H39NO7
M.W.:
525.64
Type:
Small molecule
AlogP:
2.62
Polar Surface Area:
102.37
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4079551 Name:
5alpha-methoxykuroshine E
Mol. Formula:
C31H39NO8
M.W.:
553.65
Type:
Small molecule
AlogP:
2.45
Polar Surface Area:
108.44
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4098485 Name:
kuroshine A
Mol. Formula:
C30H39NO7
M.W.:
525.64
Type:
Small molecule
AlogP:
2.62
Polar Surface Area:
102.37
HBA:
8
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA4097580 Name:
7a-hydroxykuroshine E
Mol. Formula:
C30H37NO8
M.W.:
539.63
Type:
Small molecule
AlogP:
1.80
Polar Surface Area:
119.44
HBA:
9
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4097323 Name:
3beta-hydroxyzoanthenamide
Mol. Formula:
C30H39NO7
M.W.:
525.64
Type:
Small molecule
AlogP:
2.54
Polar Surface Area:
105.53
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA4095127 Name:
5alpha-iodozoanthenamine
Mol. Formula:
C30H38INO6
M.W.:
635.54
Type:
Small molecule
AlogP:
3.98
Polar Surface Area:
85.30
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA4071456 Name:
18-epi-kuroshine E
Mol. Formula:
C30H37NO7
M.W.:
523.63
Type:
Small molecule
AlogP:
2.83
Polar Surface Area:
99.21
HBA:
8
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA4070134 Name:
Zoanthenamine
Mol. Formula:
C30H39NO6
M.W.:
509.64
Type:
Small molecule
AlogP:
3.57
Polar Surface Area:
85.30
HBA:
7
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA3765630 Name:
Houpulin K
Mol. Formula:
C36H34O5
M.W.:
546.66
Type:
Small molecule
AlogP:
8.05
Polar Surface Area:
79.15
HBA:
5
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.18
DETAILS
CLOSE
ALA3765299 Name:
Houpulin E
Mol. Formula:
C19H18O3
M.W.:
294.35
Type:
Small molecule
AlogP:
4.03
Polar Surface Area:
57.53
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4061914 Name:
28-deoxyzoanthenamide
Mol. Formula:
C30H39NO5
M.W.:
493.64
Type:
Small molecule
AlogP:
4.44
Polar Surface Area:
72.91
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4061475 Name:
kuroshine D
Mol. Formula:
C30H39NO8
M.W.:
541.64
Type:
Small molecule
AlogP:
1.59
Polar Surface Area:
122.60
HBA:
9
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
Type:
Small molecule
AlogP:
4.42
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
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