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ALA5283859 Name:
New methylene blue
Mol. Formula:
C18H22ClN3S
M.W.:
347.92
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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
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
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
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
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
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
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
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
O-1602 Name:
5-methyl-4-((1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl)benzene-1,3-Show More⌵
Mol. Formula:
C17H22O2
M.W.:
258.36
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
ALA3331544 Name:
chlorogenin 6-O-beta-D-glucopyranoside
Mol. Formula:
C33H54O9
M.W.:
594.79
Type:
Small molecule
AlogP:
2.59
Polar Surface Area:
138.07
HBA:
9
HBD:
5
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA3329800 Name:
Macaoside R
Mol. Formula:
C44H74O18
M.W.:
891.06
Type:
Small molecule
AlogP:
-0.88
Polar Surface Area:
276.14
HBA:
18
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA3329799 Name:
Macaoside Q
Mol. Formula:
C45H74O18
M.W.:
903.07
Type:
Small molecule
AlogP:
-0.28
Polar Surface Area:
272.98
HBA:
18
HBD:
9
#RO5 Violations:
3
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
ALA3329798 Name:
25(R)-26-O-(beta-D-glucopyranosyl)-5-alpha-furostan-22-alpha-methoxy-3-betaShow More⌵
Mol. Formula:
C45H76O18
M.W.:
905.09
Type:
Small molecule
AlogP:
-0.49
Polar Surface Area:
276.14
HBA:
18
HBD:
10
#RO5 Violations:
3
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.11
DETAILS
CLOSE
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