Type:
UnknownAlogP:
3.11Polar Surface Area:
38.13HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.70DETAILS
ALA5092763Name:
N-(3-(1H-Imidazol-1-yl)propyl)-N-benzylbenzamideMol. Formula:
C20H21N3OM.W.:
319.41Type:
UnknownAlogP:
3.62Polar Surface Area:
38.13HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.67DETAILS
Type:
UnknownAlogP:
2.15Polar Surface Area:
38.13HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS
ALA5090858Name:
N-(3-Bromophenyl)-2-(1H-imidazol-1-yl)acetamideMol. Formula:
C11H10BrN3OM.W.:
280.12Type:
UnknownAlogP:
2.28Polar Surface Area:
46.92HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.94DETAILS
ALA5089974Name:
2-(1H-Imidazol-1-yl)-N-(4-iodophenyl)acetamideMol. Formula:
C11H10IN3OM.W.:
327.12Type:
UnknownAlogP:
2.13Polar Surface Area:
46.92HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS- ALA5079290
Name:
N-(3-1H-Imidazol-1-yl)propyl)-N-benzylacetamideMol. Formula:
C15H19N3OM.W.:
257.34Type:
UnknownAlogP:
2.32Polar Surface Area:
38.13HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
UnknownAlogP:
5.49Polar Surface Area:
49.17HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.40DETAILS - ALA5078606
Name:
2-(1H-Imidazol-1-yl)-N-methyl-N-phenylocetamideMol. Formula:
C12H13N3OM.W.:
215.26Type:
UnknownAlogP:
1.55Polar Surface Area:
38.13HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
YQED Weighted:
0.78DETAILS -
Type:
UnknownAlogP:
3.54Polar Surface Area:
38.13HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA5071354
Name:
N-Benzyl-2-(1H-imidazol-1-yl)-N-methylacetamideMol. Formula:
C13H15N3OM.W.:
229.28Type:
UnknownAlogP:
1.54Polar Surface Area:
38.13HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.80DETAILS -
Type:
Small moleculeAlogP:
2.35Polar Surface Area:
39.82HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA3415254
Name:
3-[4-(1H-Imidazol-1-yl)butyl]-2(3H)-benzoxazoloneMol. Formula:
C14H15N3O2M.W.:
257.29Type:
Small moleculeAlogP:
2.27Polar Surface Area:
52.96HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
5.11Polar Surface Area:
30.71HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
4.72Polar Surface Area:
30.71HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
4.33Polar Surface Area:
30.71HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS - ALA3415250
Name:
2-[[5-(1H-Imidazol-1-yl)pentyl]thio]benzothiazoleMol. Formula:
C15H17N3S2M.W.:
303.46Type:
Small moleculeAlogP:
4.46Polar Surface Area:
30.71HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA3415249
Name:
2-[[4-(1H-Imidazol-1-yl)butyl]thio]benzothiazoleMol. Formula:
C14H15N3S2M.W.:
289.43Type:
Small moleculeAlogP:
4.07Polar Surface Area:
30.71HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA3415248
Name:
2-[[3-(1H-Imidazol-1-yl)propyl]thio]benzothiazoleMol. Formula:
C13H13N3S2M.W.:
275.40Type:
Small moleculeAlogP:
3.68Polar Surface Area:
30.71HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.53DETAILS - ALA3415247
Name:
2-[[4-(1H-Imidazol-1-yl)butyl]thio]benzoxazoleMol. Formula:
C14H15N3OSM.W.:
273.36Type:
Small moleculeAlogP:
3.60Polar Surface Area:
43.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA3415246
Name:
2-[[3-(1H-Imidazol-1-yl)propyl]thio]benzoxazoleMol. Formula:
C13H13N3OSM.W.:
259.33Type:
Small moleculeAlogP:
3.21Polar Surface Area:
43.85HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.52DETAILS
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