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ALA3989864 Name:
Azotomycin
Mol. Formula:
C17H23N7O8
M.W.:
453.41
Type:
Small molecule
AlogP:
-2.47
Polar Surface Area:
265.76
HBA:
7
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.09
DETAILS
CLOSE
ALA3989508 Name:
Duazomycin
Mol. Formula:
C8H11N3O4
M.W.:
213.19
Type:
Small molecule
AlogP:
-0.77
Polar Surface Area:
119.87
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA2107075 Name:
Metamelfalan
Mol. Formula:
C13H18Cl2N2O2
M.W.:
305.21
Type:
Small molecule
AlogP:
1.93
Polar Surface Area:
66.56
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
Type:
Small molecule
AlogP:
-2.63
Polar Surface Area:
161.92
HBA:
7
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA2103770 Name:
Fludorex
Mol. Formula:
C11H14F3NO
M.W.:
233.23
Type:
Small molecule
AlogP:
2.61
Polar Surface Area:
21.26
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA2103751 Name:
Prednimustine
Mol. Formula:
C35H45Cl2NO6
M.W.:
646.65
Type:
Small molecule
AlogP:
5.42
Polar Surface Area:
104.14
HBA:
7
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA1908340 Name:
Mitindomide
Mol. Formula:
C14H12N2O4
M.W.:
272.26
Type:
Small molecule
AlogP:
-1.17
Polar Surface Area:
92.34
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA1908339 Name:
Mitopodozide
Mol. Formula:
C24H30N2O8
M.W.:
474.51
Type:
Small molecule
AlogP:
1.49
Polar Surface Area:
127.74
HBA:
9
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
NKP608 Name:
Spergualin
Mol. Formula:
C31H24ClF6N3O2
M.W.:
619.99
Type:
Small molecule
AlogP:
7.57
Polar Surface Area:
62.30
HBA:
3
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
Ancitabine Name:
Ancitabine
Mol. Formula:
C9H11N3O4
M.W.:
225.20
Type:
Small molecule
AlogP:
-1.63
Polar Surface Area:
100.59
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA1234391 Name:
Menogaril
Mol. Formula:
C28H31NO10
M.W.:
541.55
Type:
Small molecule
AlogP:
0.87
Polar Surface Area:
166.22
HBA:
11
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
Gestodene Name:
Gestodene
Mol. Formula:
C21H26O2
M.W.:
310.44
Type:
Small molecule
AlogP:
3.66
Polar Surface Area:
37.30
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA1756 Name:
Estramustine phosphate
Mol. Formula:
C23H32Cl2NO6P
M.W.:
520.39
Type:
Small molecule
AlogP:
5.30
Polar Surface Area:
96.30
HBA:
4
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA471721 Name:
Sufosfamide
Mol. Formula:
C8H18ClN2O5PS
M.W.:
320.74
Type:
Small molecule
AlogP:
0.62
Polar Surface Area:
84.94
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.32
DETAILS
CLOSE
ALA474735 Name:
Asamet
Mol. Formula:
C22H33Cl2N3O4S
M.W.:
506.50
Type:
Small molecule
AlogP:
2.82
Polar Surface Area:
87.74
HBA:
6
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
15
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA474734 Name:
Asaline
Mol. Formula:
C22H33Cl2N3O4
M.W.:
474.43
Type:
Small molecule
AlogP:
2.72
Polar Surface Area:
87.74
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA515587 Name:
Asaley
Mol. Formula:
C23H35Cl2N3O4
M.W.:
488.46
Type:
Small molecule
AlogP:
3.11
Polar Surface Area:
87.74
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA508216 Name:
Arazide
Mol. Formula:
C10H12N8O3
M.W.:
292.26
Type:
Small molecule
AlogP:
-0.66
Polar Surface Area:
168.07
HBA:
9
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA502876 Name:
Dopastin
Mol. Formula:
C9H17N3O3
M.W.:
215.25
Type:
Small molecule
AlogP:
1.08
Polar Surface Area:
82.00
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA510184 Name:
Anot
Mol. Formula:
C8H9N3O3
M.W.:
195.18
Type:
Small molecule
AlogP:
0.58
Polar Surface Area:
112.25
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
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