Type:
Small moleculeAlogP:
-0.58Polar Surface Area:
346.56HBA:
19HBD:
9#RO5 Violations:
3#Rotatable Bonds:
20Passes Ro3:
NQED Weighted:
0.05DETAILS
Type:
Small moleculeAlogP:
-1.67Polar Surface Area:
346.56HBA:
18HBD:
10#RO5 Violations:
3#Rotatable Bonds:
18Passes Ro3:
NQED Weighted:
0.06DETAILS
ALA1160036Name:
7-Phenylamino-naphthalene-1-sulfonic acid anionMol. Formula:
C16H13NO3SM.W.:
299.35Type:
Small moleculeAlogP:
3.83Polar Surface Area:
66.40HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS
ALA1160035Name:
1-Phenylamino-naphthalene-2-sulfonic acid anionMol. Formula:
C16H13NO3SM.W.:
299.35Type:
Small moleculeAlogP:
3.83Polar Surface Area:
66.40HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS-
Type:
Small moleculeAlogP:
3.85Polar Surface Area:
298.03HBA:
15HBD:
7#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.08DETAILS - ALA1160030
Name:
6-Phenylamino-naphthalene-2-sulfonic acid anionMol. Formula:
C16H13NO3SM.W.:
299.35Type:
Small moleculeAlogP:
3.83Polar Surface Area:
66.40HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS - 1-Naphthalenesulfonic acid
Name:
Naphthalene-1-sulfonic acid anionMol. Formula:
C10H8O3SM.W.:
208.24Type:
Small moleculeAlogP:
2.09Polar Surface Area:
54.37HBA:
2HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
YQED Weighted:
0.73DETAILS -
Type:
Small moleculeAlogP:
6.39Polar Surface Area:
87.74HBA:
4HBD:
2#RO5 Violations:
2#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.18DETAILS -
Type:
Small moleculeAlogP:
2.91Polar Surface Area:
318.26HBA:
16HBD:
8#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.08DETAILS - 1-Amino-4-((4-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
Name:
Show More⌵Mol. Formula:
C29H20ClN7O11S3M.W.:
774.17Type:
Small moleculeAlogP:
3.85Polar Surface Area:
298.03HBA:
15HBD:
7#RO5 Violations:
3#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.08DETAILS - ALA1160024
Name:
5-Phenylamino-naphthalene-1-sulfonic acid anionMol. Formula:
C16H13NO3SM.W.:
299.35Type:
Small moleculeAlogP:
3.83Polar Surface Area:
66.40HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA553877
Name:
1-Hydroxy-4-(2-naphthalen-1-yl-vinyl)-pyridinium chlorideMol. Formula:
C17H14ClNOM.W.:
283.76Type:
Small moleculeAlogP:
3.64Polar Surface Area:
26.94HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.50DETAILS - ALA398231
Name:
4,4'-Bis-phenylamino-[1,1']binaphthalenyl-5,5'-disulfonic acidMol. Formula:
C32H24N2O6S2M.W.:
596.69Type:
Small moleculeAlogP:
7.64Polar Surface Area:
132.80HBA:
6HBD:
4#RO5 Violations:
2#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.14DETAILS - ALA166410
Name:
1-Methyl-4-(2-phenanthren-9-yl-vinyl)-pyridinium iodideMol. Formula:
C22H18INM.W.:
423.30Type:
Small moleculeAlogP:
4.99Polar Surface Area:
3.88HBA:
---HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA353720
Name:
2-Amino-1-methyl-4-(2-naphthalen-1-yl-vinyl)-pyridinium iodideMol. Formula:
C18H17IN2M.W.:
388.25Type:
Small moleculeAlogP:
3.42Polar Surface Area:
29.90HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.70DETAILS - ALA354158
Name:
2-Acetylamino-1-methyl-4-(2-naphthalen-1-yl-vinyl)-pyridinium chlorideMol. Formula:
C20H19ClN2OM.W.:
338.84Type:
Small moleculeAlogP:
3.79Polar Surface Area:
32.98HBA:
1HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.73DETAILS - ALA166723
Name:
1-Methyl-4-(2-naphthalen-1-yl-ethyl)-piperidinium chlorideMol. Formula:
C18H24ClNM.W.:
289.85Type:
Small moleculeAlogP:
4.11Polar Surface Area:
3.24HBA:
1HBD:
---#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.80DETAILS - ALA170902
Name:
4-[2-(3,4-Dichloro-phenyl)-vinyl]-1-methyl-pyridinium chlorideMol. Formula:
C14H12Cl3NM.W.:
300.62Type:
Small moleculeAlogP:
3.99Polar Surface Area:
3.88HBA:
---HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.72DETAILS - ALA166791
Name:
1-Methyl-3-(3-naphthalen-1-yl-ureido)-pyridinium iodideMol. Formula:
C17H16IN3OM.W.:
405.24Type:
Small moleculeAlogP:
3.31Polar Surface Area:
45.01HBA:
1HBD:
2#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.69DETAILS
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