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ALA5316227 Name:
PASIREOTIDE (DITRIFLUOROACETATE)
Mol. Formula:
C62H68F6N10O13
M.W.:
1275.27
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5316219 Name:
QUINAGOLIDE (HYDROCHLORIDE)
Mol. Formula:
C20H34ClN3O3S
M.W.:
432.03
Type:
---
AlogP:
2.14
Polar Surface Area:
72.88
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
Type:
Unknown
AlogP:
1.15
Polar Surface Area:
54.88
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
ALA4630649 Name:
XE991
Cas Number:
19438-59-6
Mol. Formula:
C9H10O3
M.W.:
166.18
Type:
Unknown
AlogP:
1.19
Polar Surface Area:
43.37
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.40
DETAILS
CLOSE
Type:
Unknown
AlogP:
1.15
Polar Surface Area:
36.68
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.55
DETAILS
CLOSE
Type:
Unknown
AlogP:
-0.60
Polar Surface Area:
49.77
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.56
DETAILS
CLOSE
Type:
Unknown
AlogP:
1.54
Polar Surface Area:
46.53
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.75
DETAILS
CLOSE
ALA4630645 Name:
TAZAROTENE
Mol. Formula:
C13H12N2O4
M.W.:
260.25
Type:
Unknown
AlogP:
3.51
Polar Surface Area:
82.25
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4593961 Name:
methionine benzimidazole 6
Mol. Formula:
C23H25N3O3S
M.W.:
423.54
Type:
Unknown
AlogP:
5.24
Polar Surface Area:
80.15
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA4593278 Name:
PF-543
Cas Number:
1415562-83-2
Mol. Formula:
C33H39NO11S
M.W.:
657.74
Type:
Unknown
AlogP:
4.50
Polar Surface Area:
66.84
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4593105 Name:
cabergoline
Mol. Formula:
C26H37N5O2
M.W.:
451.62
Type:
Unknown
AlogP:
3.19
Polar Surface Area:
71.68
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
Type:
Unknown
AlogP:
4.43
Polar Surface Area:
69.72
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA4591460 Name:
MK-0557
Mol. Formula:
C22H19FN4O3
M.W.:
406.42
Type:
Unknown
AlogP:
3.60
Polar Surface Area:
86.11
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA4591234 Name:
THDOC
Mol. Formula:
C21H34O3
M.W.:
334.50
Type:
Unknown
AlogP:
3.57
Polar Surface Area:
57.53
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4590257 Name:
SB-743921
Mol. Formula:
C31H33ClN2O3
M.W.:
517.07
Type:
Unknown
AlogP:
6.53
Polar Surface Area:
76.54
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA4588937 Name:
Meldonium hydrateÊ
Mol. Formula:
M.W.:
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4588354 Name:
NCS-382
Mol. Formula:
C13H14O3
M.W.:
218.25
Type:
Unknown
AlogP:
2.07
Polar Surface Area:
57.53
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.56
DETAILS
CLOSE
ALA4587981 Name:
NS6180
Cas Number:
353262-04-1
Mol. Formula:
C16H12F3NOS
M.W.:
323.34
Type:
Unknown
AlogP:
4.34
Polar Surface Area:
20.31
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4587433 Name:
Protein kinase inhibitors 1
Mol. Formula:
C18H17N5O3S
M.W.:
383.43
Type:
Unknown
AlogP:
1.17
Polar Surface Area:
107.19
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
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