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ALA5280097 Name:
3-(3,4,5-trimethoxyphenyl)propyl(S)-1-(3,3-dimethy
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Mol. Formula:
C25H37NO7
M.W.:
463.57
Type:
---
AlogP:
3.57
Polar Surface Area:
91.37
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.28
DETAILS
CLOSE
ALA5279437 Name:
ethyl (S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin
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Mol. Formula:
C15H25NO4
M.W.:
283.37
Type:
---
AlogP:
1.94
Polar Surface Area:
63.68
HBA:
4
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA5291300 Name:
(S)-1-cyclohexyl-3-phenylpropyl(S)-1-(3,3-dimethyl
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Mol. Formula:
C28H41NO4
M.W.:
455.64
Type:
---
AlogP:
5.50
Polar Surface Area:
63.68
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA4790319 Name:
1-Carboxymethyl-4-[4-(methoxy)phenylthiomethyl]-1H
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Mol. Formula:
C12H13N3O3S
M.W.:
279.32
Type:
Unknown
AlogP:
1.66
Polar Surface Area:
77.24
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4790194 Name:
2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-(((S)-1-(3,3-d
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Mol. Formula:
C31H41NO8
M.W.:
555.67
Type:
Unknown
AlogP:
5.20
Polar Surface Area:
111.60
HBA:
7
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
13
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA4782197 Name:
1-Carboxymethyl-4-(phenylthiomethyl)-1H-1,2,3-tria
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Mol. Formula:
C11H11N3O2S
M.W.:
249.29
Type:
Unknown
AlogP:
1.66
Polar Surface Area:
68.01
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA4549149 Name:
NA
Mol. Formula:
C49H73N3O12
M.W.:
896.13
Type:
Unknown
AlogP:
5.14
Polar Surface Area:
217.27
HBA:
14
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA4757101 Name:
(R)-1-(2-acrylamidophenyl)-3-(3,4-dimethoxyphenyl)
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Mol. Formula:
C36H42N2O9
M.W.:
646.74
Type:
Unknown
AlogP:
5.77
Polar Surface Area:
121.86
HBA:
9
HBD:
1
#RO5 Violations:
2
#Rotatable Bonds:
14
Passes Ro3:
N
QED Weighted:
0.17
DETAILS
CLOSE
ALA4756691 Name:
(R)-3-(3,4-dimethoxyphenyl)-1-phenylpropyl (S)-1-(
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Mol. Formula:
C31H40N2O6
M.W.:
536.67
Type:
Unknown
AlogP:
4.63
Polar Surface Area:
94.17
HBA:
6
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4756230 Name:
2-(4-((3-methoxyphenylthio)methyl)-1H-1,2,3-triazo
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Mol. Formula:
C12H13N3O3S
M.W.:
279.32
Type:
Unknown
AlogP:
1.66
Polar Surface Area:
77.24
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.81
DETAILS
CLOSE
ALA4776128 Name:
(S)-1-(1-Carboxy-2-phenylethyl)-4-[3-(methoxy)phen
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Mol. Formula:
C19H19N3O3S
M.W.:
369.45
Type:
Unknown
AlogP:
3.45
Polar Surface Area:
77.24
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA4764523 Name:
(S)-1-[1-Carboxy-2-(4-hydroxyphenyl)ethyl]-4-[3-(t
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Mol. Formula:
C19H16F3N3O3S
M.W.:
423.42
Type:
Unknown
AlogP:
4.16
Polar Surface Area:
88.24
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5275279 Name:
Mol. Formula:
C75H107N7O20
M.W.:
1426.71
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5274597 Name:
3-(3,4-dimethoxyphenyl)-1-(3-(4-(((2S,3R)-3-hydrox
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Mol. Formula:
C55H72N4O12S
M.W.:
1013.26
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5220794 Name:
Mol. Formula:
C46H71NO11
M.W.:
814.07
Type:
---
AlogP:
5.70
Polar Surface Area:
180.13
HBA:
11
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5219513 Name:
Mol. Formula:
C52H81NO13
M.W.:
928.21
Type:
---
AlogP:
6.31
Polar Surface Area:
206.43
HBA:
13
HBD:
4
#RO5 Violations:
3
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.14
DETAILS
CLOSE
ALA5219200 Name:
Mol. Formula:
C46H71NO10
M.W.:
798.07
Type:
---
AlogP:
6.73
Polar Surface Area:
159.90
HBA:
10
HBD:
3
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5218786 Name:
Mol. Formula:
C47H73NO11
M.W.:
828.10
Type:
---
AlogP:
6.35
Polar Surface Area:
169.13
HBA:
11
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
ALA5218757 Name:
Mol. Formula:
C45H69NO10
M.W.:
784.04
Type:
---
AlogP:
6.07
Polar Surface Area:
170.90
HBA:
10
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.15
DETAILS
CLOSE
ALA5218737 Name:
Mol. Formula:
C51H77NO12
M.W.:
896.17
Type:
---
AlogP:
6.41
Polar Surface Area:
186.20
HBA:
12
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.16
DETAILS
CLOSE
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