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ALA5308501 Name:
BETAMETHASONE VALERATE
Mol. Formula:
C27H37FO6
M.W.:
476.59
Type:
---
AlogP:
3.64
Polar Surface Area:
100.90
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5308500 Name:
Capreomycin (sulfate)
Mol. Formula:
C25H44N14O7
M.W.:
652.72
Type:
---
AlogP:
-7.00
Polar Surface Area:
355.69
HBA:
11
HBD:
14
#RO5 Violations:
3
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.10
DETAILS
CLOSE
ALA5308499 Name:
Oridonin (Isodonol)
Mol. Formula:
C20H28O6
M.W.:
364.44
Type:
---
AlogP:
0.38
Polar Surface Area:
107.22
HBA:
6
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
N
QED Weighted:
0.46
DETAILS
CLOSE
ALA5308498 Name:
NAFCILLIN SODIUM
Mol. Formula:
C21H22N2O5S
M.W.:
414.48
Type:
---
AlogP:
2.48
Polar Surface Area:
95.94
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.73
DETAILS
CLOSE
ALA5308497 Name:
Oleanolic_acid (Caryophyllin)
Mol. Formula:
C30H48O3
M.W.:
456.71
Type:
---
AlogP:
7.09
Polar Surface Area:
57.53
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5308496 Name:
ifenprodil
Mol. Formula:
C42H54N2O4
M.W.:
650.90
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5308495 Name:
Amrubicin
Mol. Formula:
C25H25NO9
M.W.:
483.47
Type:
---
AlogP:
0.63
Polar Surface Area:
176.61
HBA:
10
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5308494 Name:
ALOGLIPTIN BENZOATE
Mol. Formula:
C18H21N5O2
M.W.:
339.40
Type:
---
AlogP:
0.39
Polar Surface Area:
97.05
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.87
DETAILS
CLOSE
ALA5308493 Name:
MONENSIN SODIUM
Mol. Formula:
C36H62O11
M.W.:
670.88
Type:
---
AlogP:
4.27
Polar Surface Area:
153.37
HBA:
10
HBD:
4
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.26
DETAILS
CLOSE
ALA5308492 Name:
SPARFLOXACIN
Mol. Formula:
C19H22F2N4O3
M.W.:
392.41
Type:
---
AlogP:
2.08
Polar Surface Area:
100.59
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.69
DETAILS
CLOSE
ALA5308491 Name:
Mezlocillin Sodium
Mol. Formula:
C21H25N5O8S2
M.W.:
539.59
Type:
---
AlogP:
-0.23
Polar Surface Area:
173.50
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA5308490 Name:
Bismuth Subcitrate Potassium
Mol. Formula:
C12H8BiO14-5
M.W.:
585.16
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5308489 Name:
Rifamycin SV sodium salt
Mol. Formula:
C37H47NO12
M.W.:
697.78
Type:
---
AlogP:
4.75
Polar Surface Area:
201.31
HBA:
12
HBD:
6
#RO5 Violations:
3
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA5308488 Name:
PETCM
Mol. Formula:
C8H8Cl3NO
M.W.:
240.52
Type:
---
AlogP:
2.36
Polar Surface Area:
33.12
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.81
DETAILS
CLOSE
ALA5308487 Name:
DMeOB
Mol. Formula:
C16H16N2O2
M.W.:
268.32
Type:
---
AlogP:
3.48
Polar Surface Area:
43.18
HBA:
3
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.62
DETAILS
CLOSE
ALA5308486 Name:
Moexipril Hydrochloride
Mol. Formula:
C27H34N2O7
M.W.:
498.58
Type:
---
AlogP:
2.58
Polar Surface Area:
114.40
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5308485 Name:
Silymarin (Silybin B)
Mol. Formula:
C25H22O10
M.W.:
482.44
Type:
---
AlogP:
2.36
Polar Surface Area:
155.14
HBA:
10
HBD:
5
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.37
DETAILS
CLOSE
ALA5308484 Name:
3;3'-dichlorobenzaldazine
Mol. Formula:
C14H10Cl2N2
M.W.:
277.15
Type:
---
AlogP:
4.77
Polar Surface Area:
24.72
HBA:
1
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5308483 Name:
ARSENIC TRIOXIDE DIETHANOLAMINE SALT
Mol. Formula:
H4As2O3
M.W.:
201.87
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5308482 Name:
Dolasetron
Mol. Formula:
C19H20N2O3
M.W.:
324.38
Type:
---
AlogP:
2.52
Polar Surface Area:
62.40
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
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