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ALA4547639 Name:
Aintennol E
Mol. Formula:
C22H26O4
M.W.:
354.45
Type:
Unknown
AlogP:
3.85
Polar Surface Area:
63.60
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4550460 Name:
Onydecalin B
Mol. Formula:
C21H32O4
M.W.:
348.48
Type:
Unknown
AlogP:
3.85
Polar Surface Area:
74.60
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA4540557 Name:
Aintennol F
Mol. Formula:
C22H26O4
M.W.:
354.45
Type:
Unknown
AlogP:
3.85
Polar Surface Area:
63.60
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4534293 Name:
Aintennol C
Mol. Formula:
C22H28O4
M.W.:
356.46
Type:
Unknown
AlogP:
3.99
Polar Surface Area:
66.76
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA4533807 Name:
Onydecalin D
Mol. Formula:
C23H33NO3
M.W.:
371.52
Type:
Unknown
AlogP:
3.43
Polar Surface Area:
66.40
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4530219 Name:
Aintennol A
Mol. Formula:
C22H30O2
M.W.:
326.48
Type:
Unknown
AlogP:
5.49
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4514980 Name:
Onydecalin C
Mol. Formula:
C21H28O3
M.W.:
328.45
Type:
Unknown
AlogP:
4.41
Polar Surface Area:
54.37
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA4229230 Name:
N-[5-(4-Indanylmethyl)thiazol-2-yl]cyclohexanecarb
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Mol. Formula:
C20H24N2OS
M.W.:
340.49
Type:
Small molecule
AlogP:
4.74
Polar Surface Area:
41.99
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4229022 Name:
N-[5-(1-Naphthoyl)thiazol-2-yl]cyclohexanecarboxam
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Mol. Formula:
C21H20N2O2S
M.W.:
364.47
Type:
Small molecule
AlogP:
5.05
Polar Surface Area:
59.06
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4228840 Name:
N-{5-[2-Thieno(3,2-b)thiophenylmethyl]thiazol-2-yl
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Mol. Formula:
C17H18N2OS3
M.W.:
362.55
Type:
Small molecule
AlogP:
5.53
Polar Surface Area:
41.99
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4228796 Name:
N-[5-(7-Benzofuranylmethyl)thiazol-2-yl]-3-cyclohe
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Mol. Formula:
C21H24N2O2S
M.W.:
368.50
Type:
Small molecule
AlogP:
5.78
Polar Surface Area:
55.13
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4228771 Name:
N-[5-(Cyclopentylmethyl)thiazol-2-yl]cyclohexaneca
Show More⌵
Mol. Formula:
C16H24N2OS
M.W.:
292.45
Type:
Small molecule
AlogP:
4.39
Polar Surface Area:
41.99
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.89
DETAILS
CLOSE
ALA4228657 Name:
N-[5-(4-Quinolinylmethyl)thiazol-2-yl]-3-cyclohexa
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Mol. Formula:
C22H25N3OS
M.W.:
379.53
Type:
Small molecule
AlogP:
5.58
Polar Surface Area:
54.88
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4228644 Name:
N-(5-Ethylthiazol-2-yl)cyclohexanecarboxamide
Mol. Formula:
C12H18N2OS
M.W.:
238.36
Type:
Small molecule
AlogP:
3.22
Polar Surface Area:
41.99
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA4228482 Name:
N-[5-(4-Pyridinylmethyl)thiazol-2-yl]-3-cyclohexan
Show More⌵
Mol. Formula:
C18H23N3OS
M.W.:
329.47
Type:
Small molecule
AlogP:
4.43
Polar Surface Area:
54.88
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.85
DETAILS
CLOSE
ALA4228407 Name:
N-(5-Ethylthiazol-2-yl)-3-cyclohexanepropanamide
Mol. Formula:
C14H22N2OS
M.W.:
266.41
Type:
Small molecule
AlogP:
4.00
Polar Surface Area:
41.99
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA4228352 Name:
N-[5-(4-Pyridinylmethyl)thiazol-2-yl]cyclohexaneca
Show More⌵
Mol. Formula:
C16H19N3OS
M.W.:
301.42
Type:
Small molecule
AlogP:
3.65
Polar Surface Area:
54.88
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.94
DETAILS
CLOSE
ALA4228173 Name:
N-[5-(7-Benzothiophenylmethyl)thiazol-2-yl]cyclohe
Show More⌵
Mol. Formula:
C19H20N2OS2
M.W.:
356.52
Type:
Small molecule
AlogP:
5.47
Polar Surface Area:
41.99
HBA:
4
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4228008 Name:
N-[5-(4-Indanylmethyl)thiazol-2-yl]-3-cyclohexanep
Show More⌵
Mol. Formula:
C22H28N2OS
M.W.:
368.55
Type:
Small molecule
AlogP:
5.52
Polar Surface Area:
41.99
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA4227922 Name:
N-[5-(Phenylmethyl)oxazol-2-yl]cyclohexanecarboxam
Show More⌵
Mol. Formula:
C16H20N2O
M.W.:
256.35
Type:
Small molecule
AlogP:
4.01
Polar Surface Area:
38.06
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.90
DETAILS
CLOSE
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