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ALA5280440 Name:
Macrolactin B
Mol. Formula:
C30H46O10
M.W.:
566.69
Type:
---
AlogP:
1.74
Polar Surface Area:
166.14
HBA:
10
HBD:
6
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA5278865 Name:
6',8'-dichloroisoplagiochin C
Mol. Formula:
C28H20Cl2O4
M.W.:
491.37
Type:
---
AlogP:
7.33
Polar Surface Area:
80.92
HBA:
4
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA5274091 Name:
5-hydoxycalamenene
Mol. Formula:
C15H22O
M.W.:
218.34
Type:
---
AlogP:
4.34
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA5269347 Name:
6'-chloroisoplagiochin D
Mol. Formula:
C28H23ClO4
M.W.:
458.94
Type:
---
AlogP:
6.38
Polar Surface Area:
80.92
HBA:
4
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5268131 Name:
Macrolactin T
Mol. Formula:
C24H36O6
M.W.:
420.55
Type:
---
AlogP:
2.89
Polar Surface Area:
107.22
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5187175 Name:
3-isopropyl-6-[[1-(3-methylbut-2-enyl)indol-3-yl]m
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Mol. Formula:
C21H27N3O2
M.W.:
353.47
Type:
---
AlogP:
2.79
Polar Surface Area:
63.13
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4277825 Name:
1,2,4,6-tetrathiepane
Cas Number:
292-45-5
Mol. Formula:
C3H6S4
M.W.:
170.35
Type:
Small molecule
AlogP:
2.72
Polar Surface Area:
0.00
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA3342644 Name:
palmarumycin C6
Mol. Formula:
C19H12O5
M.W.:
320.30
Type:
Small molecule
AlogP:
3.46
Polar Surface Area:
75.99
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA3145387 Name:
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol
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Cas Number:
23898-81-9
Mol. Formula:
C10H12N4O
M.W.:
204.23
Type:
Small molecule
AlogP:
0.88
Polar Surface Area:
63.57
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA2288805 Name:
(E)-(2-((2,5-dimethylphenoxy)methyl)phenyl)(isoxaz
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Mol. Formula:
C20H20N2O3
M.W.:
336.39
Type:
Small molecule
AlogP:
4.27
Polar Surface Area:
56.85
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA2288800 Name:
(Z)-(2-((2,5-dimethylphenoxy)methyl)phenyl)(3-meth
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Mol. Formula:
C21H22N2O3
M.W.:
350.42
Type:
Small molecule
AlogP:
4.58
Polar Surface Area:
56.85
HBA:
5
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA2288729 Name:
2-amino-6-sec-butyl-4-oxo-4H-chromene-3-carboxamid
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Mol. Formula:
C14H16N2O3
M.W.:
260.29
Type:
Small molecule
AlogP:
1.99
Polar Surface Area:
99.32
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA2288727 Name:
2-amino-6-isopropyl-4-oxo-4H-chromene-3-carboxamid
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Mol. Formula:
C13H14N2O3
M.W.:
246.27
Type:
Small molecule
AlogP:
1.60
Polar Surface Area:
99.32
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA2288705 Name:
2-amino-6-tert-butyl-4-oxo-4H-chromene-3-carboxami
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Mol. Formula:
C14H16N2O3
M.W.:
260.29
Type:
Small molecule
AlogP:
1.77
Polar Surface Area:
99.32
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA2288554 Name:
(E)-2-(methoxyimino)-N-methyl-2-(2-(2-nitrophenoxy
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Mol. Formula:
C16H15N3O5
M.W.:
329.31
Type:
Small molecule
AlogP:
2.48
Polar Surface Area:
103.06
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA2288553 Name:
(E)-2-(methoxyimino)-N-methyl-2-(2-(4-nitrophenoxy
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Mol. Formula:
C16H15N3O5
M.W.:
329.31
Type:
Small molecule
AlogP:
2.48
Polar Surface Area:
103.06
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA2288438 Name:
2-(4-isobutyl-3,5-dimethyl-1H-pyrazol-1-yl)-4,6-di
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Mol. Formula:
C15H22N4
M.W.:
258.37
Type:
Small molecule
AlogP:
3.09
Polar Surface Area:
43.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA2288437 Name:
2-(3,5-dimethyl-4-propyl-1H-pyrazol-1-yl)-4,6-dime
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Mol. Formula:
C14H20N4
M.W.:
244.34
Type:
Small molecule
AlogP:
2.85
Polar Surface Area:
43.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA2288436 Name:
2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-4,6-dimet
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Mol. Formula:
C13H18N4
M.W.:
230.31
Type:
Small molecule
AlogP:
2.46
Polar Surface Area:
43.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA2288435 Name:
4-methyl-2-(3,4,5-trimethyl-1H-pyrazol-1-yl)pyrimi
Show More⌵
Mol. Formula:
C11H14N4
M.W.:
202.26
Type:
Small molecule
AlogP:
1.90
Polar Surface Area:
43.60
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.71
DETAILS
CLOSE
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