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ALA5314343 Name:
Hexadecyl-trimethyl-ammonium bromide
Mol. Formula:
M.W.:
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5219790 Name:
Trimethyl-tetradecyl-ammonium bromide
Mol. Formula:
M.W.:
Type:
Small molecule
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
Type:
Small molecule
AlogP:
2.72
Polar Surface Area:
102.15
HBA:
5
HBD:
4
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.34
DETAILS
CLOSE
ALA1208995 Name:
2-naphthoic bis(2-oxooxazolidin-3-yl)phosphinic an
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Mol. Formula:
C17H15N2O7P
M.W.:
390.29
Type:
Small molecule
AlogP:
3.01
Polar Surface Area:
102.45
HBA:
7
HBD:
---
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.74
DETAILS
CLOSE
ALA1208994 Name:
4-(2-aminoethyl)-2-hydroxyphenyl 2-naphthoate
Mol. Formula:
C19H17NO3
M.W.:
307.35
Type:
Small molecule
AlogP:
3.27
Polar Surface Area:
72.55
HBA:
4
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA1208993 Name:
4-(2-aminoethyl)phenyl 2-naphthoate
Mol. Formula:
C19H17NO2
M.W.:
291.35
Type:
Small molecule
AlogP:
3.56
Polar Surface Area:
52.32
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA1208992 Name:
N-(4-hydroxy-3-methoxyphenethyl)-2-naphthamide
Mol. Formula:
C20H19NO3
M.W.:
321.38
Type:
Small molecule
AlogP:
3.53
Polar Surface Area:
58.56
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA1208932 Name:
N-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-2-naphthamid
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Mol. Formula:
C20H17NO3
M.W.:
319.36
Type:
Small molecule
AlogP:
3.54
Polar Surface Area:
47.56
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
ALA1208931 Name:
N-(4-methoxyphenethyl)-2-naphthamide
Mol. Formula:
C20H19NO2
M.W.:
305.38
Type:
Small molecule
AlogP:
3.82
Polar Surface Area:
38.33
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.78
DETAILS
CLOSE
ALA1208930 Name:
N-(3,4-dihydroxyphenethyl)-2-naphthamide
Mol. Formula:
C19H17NO3
M.W.:
307.35
Type:
Small molecule
AlogP:
3.22
Polar Surface Area:
69.56
HBA:
3
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.65
DETAILS
CLOSE
ALA1208929 Name:
N-(4-hydroxyphenethyl)-2-naphthamide
Mol. Formula:
C19H17NO2
M.W.:
291.35
Type:
Small molecule
AlogP:
3.52
Polar Surface Area:
49.33
HBA:
2
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.77
DETAILS
CLOSE
ALA1208928 Name:
3-hydroxy-N-(4-methoxyphenethyl)-2-naphthamide
Mol. Formula:
C20H19NO3
M.W.:
321.38
Type:
Small molecule
AlogP:
3.53
Polar Surface Area:
58.56
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.76
DETAILS
CLOSE
ALA1208927 Name:
3-hydroxy-N'-(3-hydroxy-4-methoxybenzylidene)-2-na
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Mol. Formula:
C19H16N2O4
M.W.:
336.35
Type:
Small molecule
AlogP:
3.02
Polar Surface Area:
91.15
HBA:
5
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA1208866 Name:
3-hydroxy-N'-(5-hydroxy-2-nitrobenzylidene)-2-naph
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Mol. Formula:
C18H13N3O5
M.W.:
351.32
Type:
Small molecule
AlogP:
2.92
Polar Surface Area:
125.06
HBA:
6
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA1208865 Name:
N'-(3,4-dimethylbenzylidene)-3-hydroxy-2-naphthohy
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Mol. Formula:
C20H18N2O2
M.W.:
318.38
Type:
Small molecule
AlogP:
3.93
Polar Surface Area:
61.69
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA1208864 Name:
N'-(3,4-dimethylbenzylidene)-2-naphthohydrazide
Mol. Formula:
C20H18N2O
M.W.:
302.38
Type:
Small molecule
AlogP:
4.22
Polar Surface Area:
41.46
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.57
DETAILS
CLOSE
ALA1208863 Name:
N'-(3,4-dichlorobenzylidene)-2-naphthohydrazide
Mol. Formula:
C18H12Cl2N2O
M.W.:
343.21
Type:
Small molecule
AlogP:
4.91
Polar Surface Area:
41.46
HBA:
2
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA1208862 Name:
N'-(3,4-dihydroxybenzylidene)-2-naphthohydrazide
Mol. Formula:
C18H14N2O3
M.W.:
306.32
Type:
Small molecule
AlogP:
3.01
Polar Surface Area:
81.92
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA1208861 Name:
N'-(3,4-dichlorobenzylidene)-3-hydroxy-2-naphthohy
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Mol. Formula:
C18H12Cl2N2O2
M.W.:
359.21
Type:
Small molecule
AlogP:
4.62
Polar Surface Area:
61.69
HBA:
3
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.53
DETAILS
CLOSE
ALA427553 Name:
2-cyano-N-hexyl-3-(3-methoxyphenyl)acrylamide
Mol. Formula:
C17H22N2O2
M.W.:
286.38
Type:
Small molecule
AlogP:
3.30
Polar Surface Area:
62.12
HBA:
3
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
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