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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
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
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
ALA5316208 Name:
Mol. Formula:
C20H29NO
M.W.:
299.46
Type:
---
AlogP:
4.27
Polar Surface Area:
23.47
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA5316207 Name:
5-(6-chloro-1H-benzo[d]imidazol-2-yl)benzo[c][1,2,
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Mol. Formula:
C13H7ClN4Se
M.W.:
333.64
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5316206 Name:
Dehydroglyasperin D
Mol. Formula:
C22H24O5
M.W.:
368.43
Type:
---
AlogP:
4.56
Polar Surface Area:
68.15
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA5316205 Name:
Dehydroglyasperin C
Mol. Formula:
C21H22O5
M.W.:
354.40
Type:
---
AlogP:
4.25
Polar Surface Area:
79.15
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5316204 Name:
Alpha-zeorin
Mol. Formula:
C30H52O2
M.W.:
444.74
Type:
---
AlogP:
7.22
Polar Surface Area:
40.46
HBA:
2
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5316203 Name:
Exendin-4; Exenatide
Mol. Formula:
C184H282N50O60S
M.W.:
4186.64
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5316202 Name:
benzyl N-[(4S)-4-[(2S)-2-{[(2S)-1-[(2S,3E,5S)-2-be
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Mol. Formula:
C61H86N10O9
M.W.:
1103.42
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5316201 Name:
Rac-[4-[2-[[(3S,4S)-1-[4-[(3S,4S)-3,4-bis[2-(4-oxi
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Mol. Formula:
C52H52N10O14
M.W.:
1041.04
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5316200 Name:
Endo-Norborneol
Mol. Formula:
C7H12O
M.W.:
112.17
Type:
---
AlogP:
1.17
Polar Surface Area:
20.23
HBA:
1
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
---
Passes Ro3:
Y
QED Weighted:
0.50
DETAILS
CLOSE
ALA5316195 Name:
Mol. Formula:
C14H20O7
M.W.:
300.31
Type:
---
AlogP:
0.95
Polar Surface Area:
80.29
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.43
DETAILS
CLOSE
ALA5316194 Name:
Mol. Formula:
C33H40N2O7S
M.W.:
608.76
Type:
---
AlogP:
4.33
Polar Surface Area:
125.40
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
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