Type:
UnknownAlogP:
5.42Polar Surface Area:
147.31HBA:
4HBD:
6#RO5 Violations:
3#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.12DETAILS
ALA3605580Name:
N,N,N-trimethyl-3-(octadec-1-en-2-ylsulfonyl)propan-1-aminium chlorideMol. Formula:
C24H50ClNO2SM.W.:
452.19Type:
Small moleculeAlogP:
6.88Polar Surface Area:
34.14HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.16DETAILS
ALA2413481Name:
4E-5-(3,5-dimethoxyphenyl)-3-hydroxy-1-phenylpenta-2,4-dien-1-oneMol. Formula:
C19H18O4M.W.:
310.35Type:
Small moleculeAlogP:
4.04Polar Surface Area:
55.76HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.38DETAILS
ALA2413480Name:
4E-3-hydroxy-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-oneMol. Formula:
C18H16O3M.W.:
280.32Type:
Small moleculeAlogP:
4.03Polar Surface Area:
46.53HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.39DETAILS
ALA2413479Name:
4E-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-phenylpenta-2,4-dien-1-oneMol. Formula:
C18H16O4M.W.:
296.32Type:
Small moleculeAlogP:
3.74Polar Surface Area:
66.76HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.38DETAILS- ALA2413478
Name:
4E-3-hydroxy-5-(4-hydroxyphenyl)-1-phenylpenta-2,4-dien-1-oneMol. Formula:
C17H14O3M.W.:
266.30Type:
Small moleculeAlogP:
3.73Polar Surface Area:
57.53HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.38DETAILS -
Type:
Small moleculeAlogP:
3.44Polar Surface Area:
86.99HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA2413476
Name:
4E-3-hydroxy-1-phenyl-5-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-oneMol. Formula:
C20H20O5M.W.:
340.38Type:
Small moleculeAlogP:
4.05Polar Surface Area:
64.99HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA2413083
Name:
(E)-2-methoxy-4-(3-(3,4,5-trimethoxystyryl)-1Hpyrazol-5-yl)phenolMol. Formula:
C21H22N2O5M.W.:
382.42Type:
Small moleculeAlogP:
3.99Polar Surface Area:
85.83HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.64DETAILS - ALA2413473
Name:
(E)-2-methoxy-4-(3-(4-methoxystyryl)-1H-pyrazol-5-yl)phenolMol. Formula:
C19H18N2O3M.W.:
322.36Type:
Small moleculeAlogP:
3.97Polar Surface Area:
67.37HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA2413472
Name:
(E)-4-(3-(4-hydroxystyryl)-1H-pyrazol-5-yl)-2-methoxyphenolMol. Formula:
C18H16N2O3M.W.:
308.34Type:
Small moleculeAlogP:
3.67Polar Surface Area:
78.37HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA2413470
Name:
(E)-4-(3-(3,4,5-trimethoxystyryl)-1H-pyrazol-5-yl)phenolMol. Formula:
C20H20N2O4M.W.:
352.39Type:
Small moleculeAlogP:
3.98Polar Surface Area:
76.60HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA2413468
Name:
(E)-4-(3-(4-Methoxystyryl)-1H-pyrazol-5-yl)phenolMol. Formula:
C18H16N2O2M.W.:
292.34Type:
Small moleculeAlogP:
3.96Polar Surface Area:
58.14HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS - ALA2413467
Name:
(E)-4-(2-(5-(4-Hydroxyphenyl)-1H-pyrazol-3-yl)vinyl)phenolMol. Formula:
C17H14N2O2M.W.:
278.31Type:
Small moleculeAlogP:
3.66Polar Surface Area:
69.14HBA:
3HBD:
3#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA2413466
Name:
(E)-4-(2-(5-(4-Hydroxyphenyl)-1H-pyrazol-3-yl)vinyl)-2-methoxyphenolMol. Formula:
C18H16N2O3M.W.:
308.34Type:
Small moleculeAlogP:
3.67Polar Surface Area:
78.37HBA:
4HBD:
3#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA2413465
Name:
(E)-5-Phenyl-3-(3,4,5-trimethoxystyryl)-1H-pyrazoleMol. Formula:
C20H20N2O3M.W.:
336.39Type:
Small moleculeAlogP:
4.27Polar Surface Area:
56.37HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA2413464
Name:
(E)-3-(3,5-Dimethoxystyryl)-5-phenyl-1H-pyrazoleMol. Formula:
C19H18N2O2M.W.:
306.37Type:
Small moleculeAlogP:
4.26Polar Surface Area:
47.14HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
4.26Polar Surface Area:
37.91HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
Small moleculeAlogP:
3.95Polar Surface Area:
48.91HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA2413461
Name:
(E)-2-methoxy-4-(2-(5-phenyl-1H-pyrazol-3-yl)vinyl)phenolMol. Formula:
C18H16N2O2M.W.:
292.34Type:
Small moleculeAlogP:
3.96Polar Surface Area:
58.14HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.76DETAILS
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