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ALA4476128 Name:
4-(3-cyclopropyl-1-ethyl-1H-pyrazol-5-ylamino)-7-(
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Mol. Formula:
C48H57N11O9
M.W.:
932.05
Type:
Unknown
AlogP:
5.66
Polar Surface Area:
241.98
HBA:
16
HBD:
5
#RO5 Violations:
3
#Rotatable Bonds:
23
Passes Ro3:
N
QED Weighted:
0.04
DETAILS
CLOSE
ALA4588672 Name:
4-((5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)methox
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Mol. Formula:
C17H12FN3O3
M.W.:
325.30
Type:
Unknown
AlogP:
3.33
Polar Surface Area:
81.17
HBA:
6
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.72
DETAILS
CLOSE
ALA5281044 Name:
3-(N-(3,4,5-trimethoxyphenyl)quinoline-8-sulfonami
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Mol. Formula:
C27H34N4O5S3
M.W.:
590.79
Type:
---
AlogP:
4.11
Polar Surface Area:
84.44
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.25
DETAILS
CLOSE
ALA5278433 Name:
3-(N-(3,4,5-trimethoxyphenyl)quinoline-8-sulfonami
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Mol. Formula:
C28H36N4O6S3
M.W.:
620.82
Type:
---
AlogP:
3.47
Polar Surface Area:
104.67
HBA:
10
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
12
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA5278238 Name:
3-(N-(3,4,5-trimethoxyphenyl)quinoline-8-sulfonami
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Mol. Formula:
C28H34N4O6S3
M.W.:
618.80
Type:
---
AlogP:
4.03
Polar Surface Area:
101.51
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE
ALA4092956 Name:
5-(4-[(3-Methylbut-2-en-1-yl)oxy]phenyl)-2-(5-(pyr
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Mol. Formula:
C24H27N3O2
M.W.:
389.50
Type:
Small molecule
AlogP:
5.34
Polar Surface Area:
51.39
HBA:
5
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA4090016 Name:
5-(4-[(3-Methylbut-2-en-1-yl)oxy]phenyl)-2-phenylo
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Mol. Formula:
C20H19NO2
M.W.:
305.38
Type:
Small molecule
AlogP:
5.35
Polar Surface Area:
35.26
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA4075096 Name:
(E)-5-(4-[(3,7-Dimethylocta-2,6-dien-1-yl)oxy]phen
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Mol. Formula:
C24H26N2O2
M.W.:
374.48
Type:
Small molecule
AlogP:
6.48
Polar Surface Area:
48.15
HBA:
4
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA4648276 Name:
Leucinostatin NPDG D
Mol. Formula:
C62H113N11O12
M.W.:
1204.65
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4648174 Name:
Leucinostatin NPDG B
Mol. Formula:
C62H111N11O12
M.W.:
1202.63
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4647580 Name:
Leucinostatin B
Mol. Formula:
C61H109N11O13
M.W.:
1204.61
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4641753 Name:
Leucinostatin NPDG A
Mol. Formula:
C61H109N11O12
M.W.:
1188.61
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4639511 Name:
Leucinostatin F
Mol. Formula:
C56H101N11O11
M.W.:
1104.49
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4638759 Name:
Leucinostatin A
Mol. Formula:
C62H111N11O13
M.W.:
1218.63
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4636478 Name:
Leucinostatin A2
Mol. Formula:
C62H109N11O12
M.W.:
1200.62
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4635400 Name:
Leucinostatin B2
Mol. Formula:
C61H107N11O12
M.W.:
1186.59
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4635118 Name:
Leucinostatin D
Mol. Formula:
C57H103N11O11
M.W.:
1118.52
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA4634859 Name:
Leucinostatin NPDG C
Mol. Formula:
C61H111N11O12
M.W.:
1190.62
Type:
Unknown
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5273300 Name:
3-(N-(3,4,5-trimethoxyphenyl)quinoline-8-sulfonami
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Mol. Formula:
C28H36N4O5S3
M.W.:
604.82
Type:
---
AlogP:
4.50
Polar Surface Area:
84.44
HBA:
9
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
11
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA5208777 Name:
N-(2-((3-(3,5-dimethoxybenzoyl)-1H-pyrrolo[2,3-b]p
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Mol. Formula:
C30H32N6O4
M.W.:
540.62
Type:
---
AlogP:
4.43
Polar Surface Area:
111.82
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
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