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 - ALA204688
Name:
bis(2,4-dinitrophenyl)sulfaneCas Number:
2253-67-0Mol. Formula:
C12H6N4O8SM.W.:
366.27Type:
Small moleculeAlogP:
3.47Polar Surface Area:
172.56HBA:
9HBD:
---#RO5 Violations:
---#Rotatable Bonds:
6Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA204687
Name:
bis(2-nitro-4-(trifluoromethyl)phenyl)sulfaneCas Number:
365-55-9Mol. Formula:
C14H6F6N2O4SM.W.:
412.27Type:
Small moleculeAlogP:
5.69Polar Surface Area:
86.28HBA:
5HBD:
---#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.37DETAILS - ALA383084
Name:
4-nitrobenzo[c][1,2,5]thiadiazoleCas Number:
6583-06-8Mol. 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 - ALA380842
Name:
1,3-dinitro-5-(trifluoromethyl)benzeneCas Number:
401-99-0Mol. 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 - ALA206140
Name:
4,6-dinitrobenzo[c][1,2,5]thiadiazoleCas Number:
16408-06-3Mol. Formula:
C6H2N4O4SM.W.:
226.17Type:
Small moleculeAlogP:
1.51Polar Surface Area:
112.06HBA:
7HBD:
---#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.57DETAILS - ALA206713
Name:
5-nitrobenzo[c][1,2,5]thiadiazoleCas Number:
16252-88-3Mol. 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:
3.47Polar Surface Area:
49.66HBA:
3HBD:
1#RO5 Violations:
---#Rotatable Bonds:
1Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
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 -
Type:
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
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