Type:
UnknownAlogP:
3.72Polar Surface Area:
70.54HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.69DETAILS
Type:
UnknownAlogP:
3.71Polar Surface Area:
61.31HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.75DETAILS
Type:
UnknownAlogP:
3.71Polar Surface Area:
61.31HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.75DETAILS
Type:
Small moleculeAlogP:
0.51Polar Surface Area:
60.85HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.71DETAILS
Type:
Small moleculeAlogP:
-0.14Polar Surface Area:
60.85HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.67DETAILS-
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
3.47Polar Surface Area:
172.56HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS -
Type:
Small moleculeAlogP:
5.69Polar Surface Area:
86.28HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS - 4-Nitro-2,1,3-benzothiadiazole
Name:
4-nitrobenzo[c][1,2,5]thiadiazoleMol. Formula:
C6H3N3O2SM.W.:
181.18Type:
Small moleculeAlogP:
1.60Polar Surface Area:
68.92HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
1.23Polar Surface Area:
104.74HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.54DETAILS - 3,5-Dinitrobenzotrifluoride
Name:
1,3-dinitro-5-(trifluoromethyl)benzeneMol. Formula:
C7H3F3N2O4M.W.:
236.10Type:
Small moleculeAlogP:
2.52Polar Surface Area:
86.28HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.58DETAILS -
Type:
Small moleculeAlogP:
1.45Polar Surface Area:
112.06HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.56DETAILS -
Type:
Small moleculeAlogP:
1.54Polar Surface Area:
68.92HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.49DETAILS -
Type:
Small moleculeAlogP:
1.51Polar Surface Area:
112.06HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.57DETAILS - 5-Nitrobenzo[c][1，2，5]thiadiazole
Name:
5-nitrobenzo[c][1,2,5]thiadiazoleMol. Formula:
C6H3N3O2SM.W.:
181.18Type:
Small moleculeAlogP:
1.60Polar Surface Area:
68.92HBA:
5HBD:
---#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.49DETAILS - ALA198157
Name:
2,6-Dichloro-4-(4-hydroxy-phenylimino)-cyclohexa-2,5-dienoneMol. Formula:
C12H7Cl2NO2M.W.:
268.10Type:
Small moleculeAlogP:
3.47Polar Surface Area:
49.66HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA96528
Name:
2-Mercaptopyridine (4'-chloro-2,2':6',2''-terpyridine)platinum (II) NitrateMol. Formula:
C20H14ClN5O3PtS+3M.W.:
634.96Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS -
Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA94326
Name:
(2,2':6',2''-Terpyridine)platinum (II)-1-thiolato-beta-D-glucose nitrateMol. Formula:
C21H22N4O8PtS+3M.W.:
685.57Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS - ALA94593
Name:
4-Mercaptoethanol-(2,2':6',4'-chloro,2''-terpyridine)platinum (II) NitrateMol. Formula:
C17H15ClN4O4PtS+3M.W.:
601.93Type:
Small moleculeAlogP:
---Polar Surface Area:
---HBA:
---HBD:
---#RO5 Violations:
na#Rotatable Bonds:
---Passes Ro3:
---QED Weighted:
---DETAILS
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