Type:
Small moleculeAlogP:
3.20Polar Surface Area:
12.03HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.71DETAILS
Type:
Small moleculeAlogP:
3.45Polar Surface Area:
12.03HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS
ALA4096027Name:
4-[(Adamantan-2-yl)methyl]piperidine-1-carboximidamideMol. Formula:
C17H29N3M.W.:
275.44Type:
Small moleculeAlogP:
3.05Polar Surface Area:
53.11HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.60DETAILS
Type:
Small moleculeAlogP:
3.06Polar Surface Area:
12.03HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.71DETAILS
ALA4092431Name:
2-(Piperidin-4-ylmethyl)adamantan-2-ol HydrochlorideMol. Formula:
C16H28ClNOM.W.:
285.86Type:
Small moleculeAlogP:
2.56Polar Surface Area:
32.26HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
YQED Weighted:
0.79DETAILS-
Type:
Small moleculeAlogP:
2.81Polar Surface Area:
53.11HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
3.37Polar Surface Area:
12.03HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
Small moleculeAlogP:
3.79Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS -
Type:
Small moleculeAlogP:
3.79Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA4061974
Name:
4-[(Adamantan-2-ylidene)methyl]piperidine-1-carboximidamideMol. Formula:
C17H27N3M.W.:
273.42Type:
Small moleculeAlogP:
2.97Polar Surface Area:
53.11HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.44DETAILS -
Type:
Small moleculeAlogP:
2.17Polar Surface Area:
32.26HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.73DETAILS - ALA3770022
Name:
Adamantan-1-yl-(2-methyl-thiazol-4-ylmethyl)-amineMol. Formula:
C15H22N2SM.W.:
262.42Type:
Small moleculeAlogP:
3.51Polar Surface Area:
24.92HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA3771231
Name:
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]adamantan-1-amineMol. Formula:
C20H24N2SM.W.:
324.49Type:
Small moleculeAlogP:
4.87Polar Surface Area:
24.92HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA3769922
Name:
N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}adamantan-1-amineMol. Formula:
C18H22N2S2M.W.:
330.52Type:
Small moleculeAlogP:
4.93Polar Surface Area:
24.92HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA3769465
Name:
Adamantan-1-yl-(2-methyl-thiazol-5-ylmethyl)-amineMol. Formula:
C15H22N2SM.W.:
262.42Type:
Small moleculeAlogP:
3.51Polar Surface Area:
24.92HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA3769745
Name:
Adamantan-1-yl-(2-tert-butyl-thiazol-5-ylmethyl)-amineMol. Formula:
C18H28N2SM.W.:
304.50Type:
Small moleculeAlogP:
4.50Polar Surface Area:
24.92HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA3770117
Name:
N-{[2-(thiophen-2-yl)-1,3-thiazol-5-yl]methyl}adamantan-1-amineMol. Formula:
C18H22N2S2M.W.:
330.52Type:
Small moleculeAlogP:
4.93Polar Surface Area:
24.92HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA3770389
Name:
N-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}adamantan-1-amineMol. Formula:
C20H25N3O2M.W.:
339.44Type:
Small moleculeAlogP:
3.80Polar Surface Area:
60.18HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA3770042
Name:
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amineMol. Formula:
C19H23N3OM.W.:
309.41Type:
Small moleculeAlogP:
3.80Polar Surface Area:
50.95HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.93DETAILS - ALA3770733
Name:
N-{[5-(thiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl}adamantan-1-amineMol. Formula:
C17H21N3S2M.W.:
331.51Type:
Small moleculeAlogP:
4.33Polar Surface Area:
37.81HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.91DETAILS
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