ALA2017165Name:
3-oxo-1,3-diphenylpropyl dimethylcarbamodithioateMol. Formula:
C18H19NOS2M.W.:
329.49Type:
Small moleculeAlogP:
4.58Polar Surface Area:
20.31HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS
ALA2017164Name:
3-oxo-1,3-diphenylpropyl benzo[d]thiazol-2-ylcarbamodithioateMol. Formula:
C23H18N2OS3M.W.:
434.61Type:
Small moleculeAlogP:
6.74Polar Surface Area:
41.99HBA:
5HBD:
1#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.27DETAILS
ALA2017163Name:
3-oxo-1,3-diphenylpropyl morpholine-4-carbodithioateMol. Formula:
C20H21NO2S2M.W.:
371.53Type:
Small moleculeAlogP:
4.35Polar Surface Area:
29.54HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.58DETAILS
ALA2017162Name:
3-oxo-1,3-diphenylpropyl piperidine-1-carbodithioateMol. Formula:
C21H23NOS2M.W.:
369.56Type:
Small moleculeAlogP:
5.50Polar Surface Area:
20.31HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS
ALA2017161Name:
3-oxo-1,3-diphenylpropyl pyrrolidine-1-carbodithioateMol. Formula:
C20H21NOS2M.W.:
355.53Type:
Small moleculeAlogP:
5.11Polar Surface Area:
20.31HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.55DETAILS- ALA2017160
Name:
(1H-benzo[d]imidazol-2-yl)methyl butylcarbamodithioateMol. Formula:
C13H17N3S2M.W.:
279.43Type:
Small moleculeAlogP:
3.47Polar Surface Area:
40.71HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.65DETAILS - ALA2017159
Name:
(1H-benzo[d]imidazol-2-yl)methyl propylcarbamodithioateMol. Formula:
C12H15N3S2M.W.:
265.41Type:
Small moleculeAlogP:
3.08Polar Surface Area:
40.71HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA2017158
Name:
(1H-benzo[d]imidazol-2-yl)methyl diethylcarbamodithioateMol. Formula:
C13H17N3S2M.W.:
279.43Type:
Small moleculeAlogP:
3.42Polar Surface Area:
31.92HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA2017157
Name:
(1H-benzo[d]imidazol-2-yl)methyl dimethylcarbamodithioateMol. Formula:
C11H13N3S2M.W.:
251.38Type:
Small moleculeAlogP:
2.64Polar Surface Area:
31.92HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.83DETAILS - ALA2017156
Name:
(1H-benzo[d]imidazol-2-yl)methyl piperidine-1-carbodithioateMol. Formula:
C14H17N3S2M.W.:
291.45Type:
Small moleculeAlogP:
3.57Polar Surface Area:
31.92HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA2017155
Name:
(1H-benzo[d]imidazol-2-yl)methyl morpholine-4-carbodithioateMol. Formula:
C13H15N3OS2M.W.:
293.42Type:
Small moleculeAlogP:
2.41Polar Surface Area:
41.15HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA2017154
Name:
(1H-benzo[d]imidazol-2-yl)methyl pyrrolidine-1-carbodithioateMol. Formula:
C13H15N3S2M.W.:
277.42Type:
Small moleculeAlogP:
3.18Polar Surface Area:
31.92HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.85DETAILS
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