Type:
Small moleculeAlogP:
2.78Polar Surface Area:
60.17HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.84DETAILS
Quinine sulfate fluorescence standard substanceName:
quinine sulfateMol. Formula:
C40H54N4O10SM.W.:
782.96Type:
Small moleculeAlogP:
3.17Polar Surface Area:
45.59HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.88DETAILS
ALA558528Name:
2-((4-methoxyphenyl)(pyridin-3-yl)methylthio)benzo[d]thiazoleMol. Formula:
C20H16N2OS2M.W.:
364.50Type:
Small moleculeAlogP:
5.58Polar Surface Area:
35.01HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS
ALA570314Name:
3-((4-chlorophenylthio)(4-methoxyphenyl)methyl)pyridineMol. Formula:
C19H16ClNOSM.W.:
341.86Type:
Small moleculeAlogP:
5.63Polar Surface Area:
22.12HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.56DETAILS
ALA550607Name:
3-((4-methoxyphenyl)(naphthalen-2-ylthio)methyl)pyridineMol. Formula:
C23H19NOSM.W.:
357.48Type:
Small moleculeAlogP:
6.13Polar Surface Area:
22.12HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.40DETAILS-
Type:
Small moleculeAlogP:
4.97Polar Surface Area:
22.12HBA:
3HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
Small moleculeAlogP:
5.28Polar Surface Area:
22.12HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
5.28Polar Surface Area:
22.12HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
5.28Polar Surface Area:
22.12HBA:
3HBD:
---#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.60DETAILS -
Type:
Small moleculeAlogP:
3.67Polar Surface Area:
115.20HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
4.22Polar Surface Area:
115.20HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
Small moleculeAlogP:
3.56Polar Surface Area:
115.20HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
3.56Polar Surface Area:
115.20HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
2.92Polar Surface Area:
124.43HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
2.92Polar Surface Area:
124.43HBA:
8HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
Small moleculeAlogP:
3.53Polar Surface Area:
115.20HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.50DETAILS -
Type:
Small moleculeAlogP:
3.22Polar Surface Area:
115.20HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.51DETAILS -
Type:
Small moleculeAlogP:
3.22Polar Surface Area:
115.20HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.51DETAILS - ALA454562
Name:
2,4-Diamino-7-chloro-10H-phenyl-pyrimido-[5,4-b]benzothiazine 5,5-dioxideMol. Formula:
C16H12ClN5O2SM.W.:
373.83Type:
Small moleculeAlogP:
2.91Polar Surface Area:
115.20HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.53DETAILS -
Type:
Small moleculeAlogP:
3.67Polar Surface Area:
115.20HBA:
7HBD:
2#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.45DETAILS
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