ALA4781924Name:
4-chloro-N'-(2-(6-methoxyquinolin-2-ylthio)acetyl)benzohydrazideMol. Formula:
C19H16ClN3O3SM.W.:
401.88Type:
UnknownAlogP:
3.45Polar Surface Area:
80.32HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS
ALA4742771Name:
4-chloro-N'-(2-(quinolin-2-ylthio)acetyl)benzohydrazideMol. Formula:
C18H14ClN3O2SM.W.:
371.85Type:
UnknownAlogP:
3.44Polar Surface Area:
71.09HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.54DETAILS
ALA4742226Name:
4-chloro-N'-(2-(6-fluoroquinolin-2-ylthio)acetyl)benzohydrazideMol. Formula:
C18H13ClFN3O2SM.W.:
389.84Type:
UnknownAlogP:
3.58Polar Surface Area:
71.09HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.53DETAILS
Type:
UnknownAlogP:
3.89Polar Surface Area:
42.23HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS
Type:
UnknownAlogP:
5.01Polar Surface Area:
28.72HBA:
2HBD:
---#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.65DETAILS- ALA4578161
Name:
3-(3,6-dichlorocarbazol-9-yl)propane-1,2-diolMol. Formula:
C15H13Cl2NO2M.W.:
310.18Type:
UnknownAlogP:
3.45Polar Surface Area:
45.39HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA4571960
Name:
2,7-dichloro-10-[2-(1H-yl)ethyl]spiro[acridine-9,4'-oxane]Mol. Formula:
C20H19Cl2N5OM.W.:
416.31Type:
UnknownAlogP:
4.30Polar Surface Area:
66.93HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS -
Type:
UnknownAlogP:
4.86Polar Surface Area:
27.03HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA4564575
Name:
3-(3-bromo-6-methylcarbazol-9-yl)propanoic acidMol. Formula:
C16H14BrNO2M.W.:
332.20Type:
UnknownAlogP:
4.34Polar Surface Area:
42.23HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS -
Type:
UnknownAlogP:
3.55Polar Surface Area:
42.23HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA4557261
Name:
3-(3,7-dichloro-phenothiazin-10-yl)propanoic acidMol. Formula:
C15H11Cl2NO2SM.W.:
340.23Type:
UnknownAlogP:
5.07Polar Surface Area:
40.54HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.85DETAILS -
Type:
UnknownAlogP:
4.71Polar Surface Area:
79.29HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA4549514
Name:
3-(3,6-dichlorocarbazol-9-yl)propanehydrazideMol. Formula:
C15H13Cl2N3OM.W.:
322.20Type:
UnknownAlogP:
3.48Polar Surface Area:
60.05HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.44DETAILS -
Type:
UnknownAlogP:
3.92Polar Surface Area:
42.23HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA4544142
Name:
N,N,N-trimethyl-2-[(methylsulfonyl)thio]-ethanaminium monochlorideMol. Formula:
C6H16ClNO2S2M.W.:
233.79Type:
UnknownAlogP:
0.39Polar Surface Area:
34.14HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.48DETAILS - ALA4539989
Name:
3-{2,7-dibromo-10H-spiro[acridine-9,1'-cyclohexane]-10-yl}propanoic acidMol. Formula:
C21H21Br2NO2M.W.:
479.21Type:
UnknownAlogP:
6.39Polar Surface Area:
40.54HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
UnknownAlogP:
4.79Polar Surface Area:
42.23HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.69DETAILS - ALA4536251
Name:
5-(4-fluorobenzylidene(3-(1-piperidinylmethyl)-1,3-thiazolidine-2,4-dioneMol. Formula:
C16H17FN2O2SM.W.:
320.39Type:
UnknownAlogP:
3.31Polar Surface Area:
40.62HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA4536117
Name:
Cis-3-(3,6-dichlorocarbazol-9-yl)cyclobutane-1-carboxylic acidMol. Formula:
C17H13Cl2NO2M.W.:
334.20Type:
UnknownAlogP:
5.14Polar Surface Area:
42.23HBA:
2HBD:
1#RO5 Violations:
1#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.71DETAILS - ALA4529801
Name:
9,9-dimethyl-10-[2-(1H-tetrazol-5-yl)ethyl]acridineMol. Formula:
C18H19N5M.W.:
305.38Type:
UnknownAlogP:
3.22Polar Surface Area:
57.70HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.81DETAILS
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