Type:
UnknownAlogP:
4.24Polar Surface Area:
39.34HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS
Type:
UnknownAlogP:
1.35Polar Surface Area:
117.09HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.31DETAILS
Type:
UnknownAlogP:
3.76Polar Surface Area:
53.01HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.88DETAILS
Type:
UnknownAlogP:
3.10Polar Surface Area:
39.34HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.92DETAILS
ALA4789968Name:
2-methoxy-4-((4-((1s,4s)-4-phenylcyclohexyl)piperazin-1-yl)methyl)phenolMol. Formula:
C24H32N2O2M.W.:
380.53Type:
UnknownAlogP:
4.24Polar Surface Area:
35.94HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.84DETAILS-
Type:
UnknownAlogP:
3.34Polar Surface Area:
59.57HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA4789446
Name:
5-(4-((1s,4s)-4-phenylcyclohexyl)piperazine-1-carbonyl)pyridin-2(1H)-oneMol. Formula:
C22H27N3O2M.W.:
365.48Type:
UnknownAlogP:
2.86Polar Surface Area:
56.41HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4782127
Name:
N'-(4-hydroxy-3-methoxybenzylidene)nonanehydrazideMol. Formula:
C17H26N2O3M.W.:
306.41Type:
UnknownAlogP:
3.60Polar Surface Area:
70.92HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.39DETAILS - ALA4779941
Name:
N'-(4-hydroxy-3-methoxybenzylidene)hexane-1-sulfonohydrazideMol. Formula:
C14H22N2O4SM.W.:
314.41Type:
UnknownAlogP:
2.23Polar Surface Area:
87.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.42DETAILS -
Type:
UnknownAlogP:
3.34Polar Surface Area:
59.57HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.77DETAILS - ALA4762249
Name:
5-((4-((1s,4s)-4-phenylcyclohexyl)piperazin-1-yl)methyl)pyridin-2(1H)-oneMol. Formula:
C22H29N3OM.W.:
351.49Type:
UnknownAlogP:
3.22Polar Surface Area:
39.34HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.92DETAILS -
Type:
UnknownAlogP:
3.89Polar Surface Area:
53.01HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.85DETAILS - ALA4760188
Name:
N'-(4-hydroxy-3-methoxybenzylidene)heptanehydrazideMol. Formula:
C15H22N2O3M.W.:
278.35Type:
UnknownAlogP:
2.82Polar Surface Area:
70.92HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
8Passes Ro3:
NQED Weighted:
0.44DETAILS - ALA4760109
Name:
1-((6-bromopyridin-3-yl)methyl)-4-((1s,4s)-4-phenylcyclohexyl)piperazineMol. Formula:
C22H28BrN3M.W.:
414.39Type:
UnknownAlogP:
4.69Polar Surface Area:
19.37HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS -
Type:
UnknownAlogP:
2.13Polar Surface Area:
117.09HBA:
6HBD:
3#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
UnknownAlogP:
4.12Polar Surface Area:
35.94HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.88DETAILS -
Type:
UnknownAlogP:
2.74Polar Surface Area:
56.41HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA4746237
Name:
1-((6-methoxypyridin-3-yl)methyl)-4-((1s,4s)-4-phenylcyclohexyl)piperazineMol. Formula:
C23H31N3OM.W.:
365.52Type:
UnknownAlogP:
3.93Polar Surface Area:
28.60HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4746016
Name:
N'-(4-hydroxy-3-methoxybenzylidene)octane-1-sulfonohydrazideMol. Formula:
C16H26N2O4SM.W.:
342.46Type:
UnknownAlogP:
3.01Polar Surface Area:
87.99HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.37DETAILS -
Type:
UnknownAlogP:
4.24Polar Surface Area:
39.34HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS
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