Molecular Properties | |
SMILES: | CN1CC[Si](C)(C)c2ccc(S(N)(=O)=O)cc21 |
MW: | 270.43 |
Fraction sp3: | 0.45 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 63.4 |
cLogP: | 0.6992 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
heavy metal
Any atoms except organogens, halogens, P, S, K, Na, Mg, Ca
Filter9_metal
Si,B,Se atoms
unacceptable atoms
Dye 22
AAR-POS-d2a4d1df-4
IND-SYN-8f867502-3
1.000
IND-SYN-8f867502-1
0.403
IND-SYN-8f867502-2
0.393
AAR-POS-d2a4d1df-4
0.393
MAK-UNK-0b1cbb06-5
0.338
JAC-UNI-14c2e728-1
0.323
DUN-NEW-f8ce3686-14
0.307
MAK-UNK-0b1cbb06-3
0.304
MAK-UNK-0b1cbb06-4
0.303
HEI-REL-0c990a45-1
0.291
HAR-NEW-e34cb1ae-6
0.291
PET-SGC-abcbce68-1
0.286
NAU-LAT-42d4957e-4
0.275
PET-SGC-6a1b02a9-1
0.273
PET-SGC-908c18f3-1
0.272
HAR-NEW-e34cb1ae-5
0.271
JOK-SYG-6ec557d2-1
0.271
JOK-SYG-ac99ed27-1
0.265
SIM-DEM-5935bd74-7
0.264
ASH-SAT-43770c7d-2
0.262
PET-SGC-c4a91520-1
0.262
LIZ-THE-6efed59f-3
0.259
ASH-UNK-40b46b30-18
0.258
MAK-UNK-0b1cbb06-2
0.256
SAD-SAT-5b1897b2-7
0.254
MAR-TRE-6a44bbf2-33
0.254
NAU-LAT-42d4957e-2
0.253
PET-SGC-481b48b7-1
0.250
WAR-XCH-b72a1bbc-49
0.250
NAU-LAT-42d4957e-3
0.250
AAR-POS-d2a4d1df-15
0.250
STE-NAN-bafe64f0-1
0.247
WAR-XCH-b6889685-23
0.246
WAR-XCH-b72a1bbc-9
0.246
WAR-XCH-b72a1bbc-1
0.246
PET-SGC-616b7348-1
0.244
WAR-XCH-b6889685-58
0.244
FRA-DIA-3f9ae552-1
0.240
WAR-XCH-b6889685-20
0.239
SAD-SAT-cefd50cc-8
0.239
LIZ-THE-d3ff4653-1
0.238
HEI-REL-0c990a45-6
0.237
WAR-XCH-b72a1bbc-5
0.236
WAR-XCH-b6889685-53
0.235
TRY-UNI-1fd04853-4
0.235
IND-SYN-5e5c1c3e-1
0.234
IND-SYN-830dcead-1
0.234
IND-SYN-a2b2ab0e-2
0.234
WAR-XCH-b6889685-32
0.234
MAK-UNK-53da93bf-5
0.233
PAU-UNI-2d648ace-1
0.233
WIL-LEE-23e8b574-7
0.233
WAR-XCH-b6889685-54
0.232
WAR-XCH-b6889685-1
0.232
MAT-POS-b5746674-57
0.231
MAK-UNK-10799360-30
0.229
PET-SGC-05cff2e1-1
0.229
HEI-REL-0c990a45-3
0.229
WAR-XCH-b72a1bbc-23
0.229
JAN-GHE-1d98ec1c-1
0.228
WAR-XCH-b72a1bbc-14
0.227
WAR-XCH-b6889685-56
0.227
MAK-UNK-0b1cbb06-1
0.226
JAN-GHE-1d98ec1c-7
0.225
WAR-XCH-b6889685-27
0.225
LON-WEI-b8d98729-4
0.225
PAU-UNI-f4334617-1
0.224
LIZ-THE-d3ff4653-2
0.224
WAR-XCH-b6889685-25
0.224
WAR-XCH-b6889685-57
0.224
WAR-XCH-b6889685-21
0.222
MAK-UNK-10799360-15
0.222
PED-UNI-89deb5c9-1
0.221
LIZ-THE-57c545eb-1
0.220
LIZ-THE-6efed59f-1
0.220
TAM-UNI-c140e31a-6
0.220
JAN-GHE-1d98ec1c-5
0.220
MAK-UNK-9a6be56d-29
0.219
WAR-XCH-b72a1bbc-6
0.219
WAR-XCH-b72a1bbc-39
0.219
WAR-XCH-b72a1bbc-48
0.219
PET-SGC-6062269a-1
0.219
NAU-LAT-42d4957e-5
0.218
AND-UNI-23ac02e4-1
0.217
WAR-XCH-b6889685-6
0.217
WAR-XCH-b6889685-16
0.217
HEI-REL-0c990a45-2
0.217
WAR-XCH-b72a1bbc-2
0.217
MAT-POS-7dfc56d9-1
0.217
PET-SGC-59809fea-1
0.216
WAR-XCH-b6889685-55
0.216
WAR-XCH-b72a1bbc-18
0.216
MAK-UNK-1cb0e944-9
0.216
LOR-NEU-c8f11034-6
0.215
WAR-XCH-b6889685-15
0.215
WAR-XCH-b72a1bbc-45
0.214
PET-SGC-ae7b447e-1
0.214
SAD-SAT-89668ff1-2
0.214
WAR-XCH-b72a1bbc-37
0.212
WAR-XCH-b6889685-19
0.212