Molecular Properties | |
SMILES: | NS(=O)(=O)c1cccc(N2[Se]C3C=CC=CC3C2=O)c1 |
MW: | 355.277 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 80.47 |
cLogP: | 0.8305 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
contains_metal
heavy metal
Any atoms except organogens, halogens, P, S, K, Na, Mg, Ca
Filter9_metal
Si,B,Se atoms
unacceptable atoms
Dye 22
Undesirable_Elements_Salts
AAR-POS-d2a4d1df-30
AMI-CSI-2ea5bed6-11
0.613
AMI-CSI-2ea5bed6-10
0.609
AMI-CSI-2339ae1c-1
0.603
AMI-CSI-2339ae1c-4
0.603
AMI-CSI-2ea5bed6-3
0.591
AMI-CSI-2339ae1c-3
0.547
AMI-CSI-2ea5bed6-9
0.507
AMI-CSI-2ea5bed6-8
0.500
AMI-CSI-2ea5bed6-4
0.478
AMI-CSI-2ea5bed6-1
0.477
AMI-CSI-2ea5bed6-2
0.477
AMI-CSI-2339ae1c-2
0.477
AMI-CSI-2ea5bed6-7
0.397
AMI-CSI-2ea5bed6-5
0.319
AMI-CSI-2ea5bed6-6
0.306
NIM-UNI-02269248-3
0.267
NIM-UNI-594fbbb6-3
0.266
NIM-UNI-bb610069-3
0.266
MAK-UNK-53da93bf-5
0.254
MAK-UNK-10799360-29
0.245
MAK-UNK-1cb0e944-9
0.245
MAK-UNK-0b1cbb06-5
0.232
JAN-GHE-1d98ec1c-9
0.227
MAK-UNK-9a6be56d-18
0.218
AAR-POS-d2a4d1df-4
0.218
HEI-REL-0c990a45-3
0.217
MAK-UNK-0b1cbb06-4
0.215
STU-CHA-91df9a40-1
0.214
WIL-UNI-1faa9b10-35
0.214
HEI-REL-0c990a45-6
0.214
MAR-TRE-4f39ef4a-1
0.213
LON-WEI-b8d98729-4
0.213
JAN-GHE-1d98ec1c-7
0.213
IND-SYN-8f867502-1
0.212
PET-SGC-481b48b7-1
0.209
NAU-LAT-42d4957e-3
0.209
ASH-SAT-43770c7d-2
0.208
SAD-SAT-5b1897b2-7
0.207
MAR-TRE-6a44bbf2-33
0.207
WAR-XCH-b6889685-39
0.207
WAR-XCH-b6889685-36
0.206
MAK-UNK-0b1cbb06-3
0.205
CHA-MCP-85291e1d-2
0.205
HAR-NEW-e34cb1ae-6
0.204
SAD-SAT-89668ff1-2
0.204
HEI-REL-0c990a45-1
0.204
HAR-NEW-e34cb1ae-5
0.204
WAR-XCH-b6889685-58
0.202
WIL-UNI-1faa9b10-15
0.202
PET-SGC-908c18f3-1
0.202
IND-SYN-058869ff-1
0.200
IND-SYN-8f867502-3
0.200
DUN-NEW-f8ce3686-14
0.200
SAD-SAT-c989feaa-9
0.200
JOK-SYG-ac99ed27-1
0.198
CHR-SOS-e960e883-3
0.198
CHA-MCP-85291e1d-4
0.198
PET-SGC-abcbce68-1
0.198
JAN-GHE-83b26c96-18
0.198
MAK-UNK-9a6be56d-24
0.197
SAD-SAT-1f400d17-4
0.196
WIL-UNI-1faa9b10-13
0.196
WIL-UNI-1faa9b10-16
0.196
WAR-XCH-e55cba98-12
0.196
TRY-UNI-1fd04853-4
0.196
CHR-SOS-e960e883-2
0.194
WAR-XCH-b6889685-37
0.194
PET-SGC-616b7348-1
0.194
HEI-REL-0c990a45-2
0.194
WAR-XCH-b6889685-6
0.194
JOK-SYG-6ec557d2-1
0.192
SAD-SAT-cefd50cc-9
0.192
CHR-SOS-e960e883-1
0.190
JAR-IMP-ed466bb3-13
0.189
SAD-SAT-135344c3-10
0.189
LIZ-THE-d3ff4653-1
0.189
PET-UNK-4dc48bbe-7
0.189
STE-NAN-bafe64f0-1
0.189
WAR-XCH-b6889685-60
0.188
MAK-UNK-69bf97dd-4
0.188
TAM-UNI-c140e31a-12
0.188
WAR-XCH-b6889685-34
0.188
WAR-XCH-b0339bbe-5
0.188
IND-SYN-8f867502-2
0.188
PED-UNI-d0b586b3-1
0.188
WAR-XCH-b6889685-54
0.188
RED-RED-10c9212c-51
0.188
PET-SGC-6a1b02a9-1
0.187
WAR-XCH-b72a1bbc-42
0.187
WAR-XCH-b6889685-27
0.187
MAK-UNK-9e4a73aa-4
0.187
LOR-NEU-c8f11034-6
0.187
MIH-UNI-6b9ca91a-3
0.186
TAM-UNI-c140e31a-6
0.186
TAM-UNI-c140e31a-14
0.186
WAR-XCH-b6889685-8
0.186
DAR-DIA-fb20be43-9
0.186
WAR-XCH-b6889685-23
0.185
JAC-UNI-14c2e728-1
0.185
PET-SGC-59809fea-1
0.185