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ALA205726 Name:
N2-(4-chlorophenyl)-N4-(2-morpholinoethyl)-N6-(4-n
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Cas Number:
5838-06-2
Mol. Formula:
C21H23ClN8O3
M.W.:
470.92
Type:
Small molecule
AlogP:
3.66
Polar Surface Area:
130.37
HBA:
10
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA381819 Name:
N2,N4,N6-tris(3-chlorophenyl)-1,3,5-triazine-2,4,6
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Mol. Formula:
C21H15Cl3N6
M.W.:
457.75
Type:
Small molecule
AlogP:
7.06
Polar Surface Area:
74.76
HBA:
6
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA204761 Name:
N2,N4-bis(3,4-difluorophenyl)-6-(4-isobutylpiperaz
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Mol. Formula:
C23H25F4N7
M.W.:
475.49
Type:
Small molecule
AlogP:
4.69
Polar Surface Area:
69.21
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.48
DETAILS
CLOSE
ALA203057 Name:
6-(4-benzylpiperazin-1-yl)-N2,N4-bis(3,4-difluorop
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Mol. Formula:
C26H23F4N7
M.W.:
509.51
Type:
Small molecule
AlogP:
5.24
Polar Surface Area:
69.21
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA203999 Name:
N2,N4-bis(3,4-difluorophenyl)-6-(4-(2-phenoxyethyl
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Mol. Formula:
C27H25F4N7O
M.W.:
539.54
Type:
Small molecule
AlogP:
5.12
Polar Surface Area:
78.44
HBA:
8
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA205085 Name:
2-(4-(4,6-bis(3,4-difluorophenylamino)-1,3,5-triaz
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Mol. Formula:
C21H21F4N7O
M.W.:
463.44
Type:
Small molecule
AlogP:
3.03
Polar Surface Area:
89.44
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA204910 Name:
2-(4-(4,6-bis(4-fluorophenylamino)-1,3,5-triazin-2
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Mol. Formula:
C21H23F2N7O
M.W.:
427.46
Type:
Small molecule
AlogP:
2.75
Polar Surface Area:
89.44
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA202792 Name:
N2-(4-chlorophenyl)-N4-(2-morpholinoethyl)-N6-phen
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Mol. Formula:
C21H24ClN7O
M.W.:
425.92
Type:
Small molecule
AlogP:
3.76
Polar Surface Area:
87.23
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA202736 Name:
N2,N4-bis(4-chlorophenyl)-N6-(2-morpholinoethyl)-1
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Mol. Formula:
C21H23Cl2N7O
M.W.:
460.37
Type:
Small molecule
AlogP:
4.41
Polar Surface Area:
87.23
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA204914 Name:
N2,N4-bis(4-fluorophenyl)-6-(4-methylpiperazin-1-y
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Cas Number:
371211-33-5
Mol. Formula:
C20H21F2N7
M.W.:
397.43
Type:
Small molecule
AlogP:
3.39
Polar Surface Area:
69.21
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA203116 Name:
N2,N4-bis(3,4-difluorophenyl)-N6-(2-morpholinoethy
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Mol. Formula:
C21H21F4N7O
M.W.:
463.44
Type:
Small molecule
AlogP:
3.66
Polar Surface Area:
87.23
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA380861 Name:
N2,N4-bis(4-fluorophenyl)-N6-(2-morpholinoethyl)-1
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Mol. Formula:
C21H23F2N7O
M.W.:
427.46
Type:
Small molecule
AlogP:
3.38
Polar Surface Area:
87.23
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA203487 Name:
N2,N4-bis(4-methoxyphenyl)-N6-(2-morpholinoethyl)-
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Cas Number:
433689-56-6
Mol. Formula:
C23H29N7O3
M.W.:
451.53
Type:
Small molecule
AlogP:
3.12
Polar Surface Area:
105.69
HBA:
10
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA382869 Name:
1-(4-(4,6-bis(4-bromophenylamino)-1,3,5-triazin-2-
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Cas Number:
84688-79-9
Mol. Formula:
C23H18Br2N6O
M.W.:
554.25
Type:
Small molecule
AlogP:
6.83
Polar Surface Area:
91.83
HBA:
7
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.22
DETAILS
CLOSE
ALA204595 Name:
N2-(2-morpholinoethyl)-N4,N6-diphenyl-1,3,5-triazi
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Mol. Formula:
C21H25N7O
M.W.:
391.48
Type:
Small molecule
AlogP:
3.10
Polar Surface Area:
87.23
HBA:
8
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
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