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Compounds 2,431,025 items
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ALA5316228 Name:
Mol. Formula:
C16H12ClNOS
M.W.:
301.80
Type:
---
AlogP:
5.44
Polar Surface Area:
35.25
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.70
DETAILS
CLOSE
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
ALA5316226 Name:
(R)-N-(4-(2-methylmorpholino)pyridin-3-yl)-2-pheny
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Mol. Formula:
C23H22N6O2
M.W.:
414.47
Type:
---
AlogP:
3.27
Polar Surface Area:
84.65
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA5316225 Name:
N-(4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)p
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Mol. Formula:
C37H50O16
M.W.:
750.79
Type:
---
AlogP:
1.27
Polar Surface Area:
243.52
HBA:
16
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5316224 Name:
6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholinoethyl
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Mol. Formula:
C22H26N4O3
M.W.:
394.48
Type:
---
AlogP:
3.06
Polar Surface Area:
68.74
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA5316223 Name:
5-(2-hydroxybenzylidene)-1,3-dimethylpyrimidine-2,
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Mol. Formula:
C13H12N2O4
M.W.:
260.25
Type:
---
AlogP:
0.83
Polar Surface Area:
77.92
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5316222 Name:
N-(4-(tert-butyl)phenyl)-1-(2,5-dimethoxyphenyl)-5
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Mol. Formula:
C21H26N4O4S
M.W.:
430.53
Type:
---
AlogP:
3.69
Polar Surface Area:
95.34
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.64
DETAILS
CLOSE
ALA5316221 Name:
(3R,6'S,7'R)-5,6-dibromo-7'-(3-bromophenyl)-6'-((E
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Mol. Formula:
C28H20Br4N2O2S
M.W.:
768.16
Type:
---
AlogP:
7.96
Polar Surface Area:
49.41
HBA:
4
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.27
DETAILS
CLOSE
ALA5316220 Name:
phenyl 6-chloro-1-(4-methoxyphenyl)-3,4-dihydro-1H
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Mol. Formula:
C25H21ClN2O3
M.W.:
432.91
Type:
---
AlogP:
5.98
Polar Surface Area:
54.56
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.43
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
ALA5316218 Name:
DDD00099038
Mol. Formula:
C9H16O2
M.W.:
156.22
Type:
---
AlogP:
2.00
Polar Surface Area:
37.30
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.63
DETAILS
CLOSE
ALA5316217 Name:
DDD00099287
Mol. Formula:
C12H22O3
M.W.:
214.31
Type:
---
AlogP:
1.32
Polar Surface Area:
49.69
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
Y
QED Weighted:
0.74
DETAILS
CLOSE
ALA5316216 Name:
5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca
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Mol. Formula:
C13H14ClN3
M.W.:
247.73
Type:
---
AlogP:
1.80
Polar Surface Area:
37.81
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.72
DETAILS
CLOSE
ALA5316215 Name:
MMV1802063
Mol. Formula:
C35H42ClN5O8
M.W.:
696.20
Type:
---
AlogP:
5.60
Polar Surface Area:
98.94
HBA:
8
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.30
DETAILS
CLOSE
ALA5316214 Name:
DDD00099255
Mol. Formula:
C9H18N2O2
M.W.:
186.25
Type:
---
AlogP:
0.28
Polar Surface Area:
58.20
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA5316213 Name:
MRT67307 HCl
Mol. Formula:
C26H38Cl2N6O2
M.W.:
537.54
Type:
---
AlogP:
3.65
Polar Surface Area:
91.41
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.44
DETAILS
CLOSE
ALA5316212 Name:
Ischemin sodium salt
Mol. Formula:
C15H16N3NaO4S
M.W.:
357.37
Type:
---
AlogP:
3.56
Polar Surface Area:
125.34
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5316211 Name:
DDD00097253
Mol. Formula:
C16H18ClN3O3S
M.W.:
367.86
Type:
---
AlogP:
1.14
Polar Surface Area:
78.51
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA5316210 Name:
DDD00097239
Mol. Formula:
C16H25N3O3S
M.W.:
339.46
Type:
---
AlogP:
0.96
Polar Surface Area:
69.72
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.83
DETAILS
CLOSE
ALA5316209 Name:
SPARTEINE HYDROIODIDE
Mol. Formula:
C15H27IN2
M.W.:
362.30
Type:
---
AlogP:
2.35
Polar Surface Area:
6.48
HBA:
2
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.63
DETAILS
CLOSE
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