ALA5196283Name:
Sodium Bis(4-chlorodibenzo[b,f]thiepin-10-yl)PhosphateMol. Formula:
C28H16Cl2NaO4PS2M.W.:
605.44Type:
---AlogP:
9.75Polar Surface Area:
55.76HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.24DETAILS
Type:
---AlogP:
4.03Polar Surface Area:
96.45HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS
ALA5207823Name:
3-((5,6-diphenyl-1,2,4-triazin-3-yl)methyl)-1H-pyrrolo[2,3-c]pyridineMol. Formula:
C23H17N5M.W.:
363.42Type:
---AlogP:
4.67Polar Surface Area:
67.35HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.50DETAILS
Type:
---AlogP:
5.55Polar Surface Area:
55.76HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.49DETAILS
Type:
---AlogP:
4.19Polar Surface Area:
100.63HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.40DETAILS-
Type:
---AlogP:
3.49Polar Surface Area:
126.65HBA:
5HBD:
3#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.34DETAILS - ALA5207051
Name:
Sodium Bis(6-fluorodibenzo[b,f]thiepin-10-yl)PhosphateMol. Formula:
C28H16F2NaO4PS2M.W.:
572.53Type:
---AlogP:
8.72Polar Surface Area:
55.76HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA5206571
Name:
Sodium Bis(5H-dibenzo[a,d][7]annulen-10-yl)PhosphateMol. Formula:
C30H22NaO4PM.W.:
500.47Type:
---AlogP:
7.33Polar Surface Area:
55.76HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.31DETAILS - ALA5206221
Name:
3-((5,6-bis(4-bromophenyl)-1,2,4-triazin-3-yl)methyl)-1H-indoleMol. Formula:
C24H16Br2N4M.W.:
520.23Type:
---AlogP:
6.80Polar Surface Area:
54.46HBA:
3HBD:
1#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.28DETAILS -
Type:
---AlogP:
3.46Polar Surface Area:
93.13HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.52DETAILS -
Type:
---AlogP:
4.03Polar Surface Area:
96.45HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS -
Type:
---AlogP:
4.46Polar Surface Area:
93.65HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.42DETAILS - ALA5205352
Name:
Sodium Bis(1-fluoro-6-methoxydibenzo[b,f]thiepin-10-yl)PhosphateMol. Formula:
C30H20F2NaO6PS2M.W.:
632.58Type:
---AlogP:
8.74Polar Surface Area:
74.22HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.22DETAILS -
Type:
---AlogP:
4.68Polar Surface Area:
88.60HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA5204521
Name:
3-((5,6-bis(4-fluorophenyl)-1,2,4-triazin-3-yl)methyl)-1H-indoleMol. Formula:
C24H16F2N4M.W.:
398.42Type:
---AlogP:
5.56Polar Surface Area:
54.46HBA:
3HBD:
1#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.43DETAILS - ALA5203912
Name:
3-((5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl)methyl)-1-methyl-1H-indoleMol. Formula:
C27H24N4O2M.W.:
436.52Type:
---AlogP:
5.31Polar Surface Area:
62.06HBA:
6HBD:
---#RO5 Violations:
1#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA5203023
Name:
Sodium Bis(8-fluorodibenzo[b,f]thiepin-10-yl)PhosphateMol. Formula:
C28H16F2NaO4PS2M.W.:
572.53Type:
---AlogP:
8.72Polar Surface Area:
55.76HBA:
5HBD:
1#RO5 Violations:
2#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.26DETAILS - ALA5202325
Name:
3-(3-((1H-indol-3-yl)methyl)-6-phenyl-1,2,4-triazin-5-yl)-N-methylbenzamideMol. Formula:
C26H21N5OM.W.:
419.49Type:
---AlogP:
4.64Polar Surface Area:
83.56HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.43DETAILS -
Type:
---AlogP:
4.03Polar Surface Area:
96.45HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA5202207
Name:
Sodium Bis(7-methoxydibenzo[b,f]thiepin-10-yl)PhosphateMol. Formula:
C30H22NaO6PS2M.W.:
596.60Type:
---AlogP:
8.46Polar Surface Area:
74.22HBA:
7HBD:
1#RO5 Violations:
2#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.23DETAILS
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