SC-26196Name:
2,2-diphenyl-5-(4-(pyridin-3-ylmethyleneamino)piperazin-1-yl)pentanenitrileMol. Formula:
C27H29N5M.W.:
423.56Type:
UnknownAlogP:
4.32Polar Surface Area:
55.52HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.51DETAILS
ALA4514971Name:
1-(2,5-dimethoxyphenyl)-3-(3-fluorophenyl)ureaMol. Formula:
C15H15FN2O3M.W.:
290.29Type:
UnknownAlogP:
3.49Polar Surface Area:
59.59HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.91DETAILS
Type:
UnknownAlogP:
3.50Polar Surface Area:
93.55HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.39DETAILS
Type:
UnknownAlogP:
4.15Polar Surface Area:
12.03HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
---Passes Ro3:
NQED Weighted:
0.71DETAILS
Type:
UnknownAlogP:
3.62Polar Surface Area:
73.22HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILS- ALA4097127
Name:
rac-1-ethyl-N-(1-(4-fluorophenyl)ethyl)-N-methyl-1H-indole-3-carboxamideMol. Formula:
C20H21FN2OM.W.:
324.40Type:
Small moleculeAlogP:
4.63Polar Surface Area:
25.24HBA:
2HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA4079106
Name:
N-(2,4-dimethoxybenzyl)-N-methylbenzo[d][1,3]dioxole-5-carboxamideMol. Formula:
C18H19NO5M.W.:
329.35Type:
Small moleculeAlogP:
2.70Polar Surface Area:
57.23HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS -
Type:
Small moleculeAlogP:
3.13Polar Surface Area:
78.43HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
Small moleculeAlogP:
3.28Polar Surface Area:
78.43HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
2.76Polar Surface Area:
78.43HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.76DETAILS -
Type:
Small moleculeAlogP:
2.43Polar Surface Area:
104.21HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.63DETAILS -
Type:
Small moleculeAlogP:
2.58Polar Surface Area:
91.57HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.75DETAILS -
Type:
Small moleculeAlogP:
2.79Polar Surface Area:
78.43HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.65DETAILS -
Type:
Small moleculeAlogP:
4.00Polar Surface Area:
91.57HBA:
6HBD:
1#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
2.84Polar Surface Area:
91.32HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.61DETAILS -
Type:
Small moleculeAlogP:
2.49Polar Surface Area:
104.21HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.59DETAILS -
Type:
Small moleculeAlogP:
3.99Polar Surface Area:
78.43HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
3.82Polar Surface Area:
78.43HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
3.39Polar Surface Area:
78.43HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
3.71Polar Surface Area:
78.43HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.65DETAILS
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