Molecular Properties | |
SMILES: | Cc1nnc(CN2C3CCc4ccc(S(N)(=O)=O)cc4[N+]32C)s1 |
MW: | 352.09 |
Fraction sp3: | 0.43 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 88.95 |
cLogP: | 1.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aziridine_diazirine
quaternary nitrogen
Three-membered heterocycle
Filter80_Thioepoxide_aziridone
aziridine-like N in 3-membered ring
Dye 22
AAR-POS-d2a4d1df-1
NAU-LAT-42d4957e-4
0.425
PET-SGC-c4a91520-1
0.376
SAD-SAT-cefd50cc-8
0.337
NAU-LAT-42d4957e-6
0.319
ASH-UNK-40b46b30-10
0.294
MAK-UNK-8145c7a0-7
0.271
NAU-LAT-42d4957e-3
0.271
HEI-REL-0c990a45-2
0.268
HEI-REL-0c990a45-1
0.265
HAR-NEW-e34cb1ae-6
0.265
JOK-SYG-ac99ed27-1
0.257
MAK-UNK-8145c7a0-4
0.257
MAK-UNK-0b1cbb06-4
0.256
AAR-POS-d2a4d1df-8
0.256
MAK-UNK-0b1cbb06-5
0.256
ASH-SAT-43770c7d-2
0.255
DAR-DIA-37454fd7-2
0.252
JOK-SYG-6ec557d2-1
0.250
MAK-UNK-8145c7a0-6
0.250
HAR-NEW-e34cb1ae-5
0.250
WAL-WAB-c1441da0-2
0.250
KUS-THE-322b9b63-22
0.245
PET-SGC-481b48b7-1
0.245
TRY-UNI-1fd04853-4
0.245
AAR-POS-d2a4d1df-4
0.244
DAR-DIA-37454fd7-3
0.244
MAK-UNK-8145c7a0-5
0.243
MIH-UNI-6b9ca91a-3
0.243
HEI-REL-0c990a45-3
0.240
WAL-WAB-9cbe20c2-2
0.238
PET-SGC-210d4c30-1
0.238
DAR-DIA-37454fd7-1
0.238
PET-SGC-908c18f3-1
0.238
JAC-UNI-8d446b52-1
0.236
NAU-LAT-42d4957e-1
0.234
YUE-FRA-7d798063-1
0.234
STU-CHA-7e77017b-1
0.234
STE-NAN-bafe64f0-1
0.232
MAK-UNK-0b1cbb06-3
0.231
IND-SYN-8f867502-2
0.230
PED-UNI-d0b586b3-1
0.229
WAR-XCH-b72a1bbc-45
0.228
WAR-XCH-b6889685-45
0.227
WAR-XCH-b72a1bbc-43
0.227
STU-CHA-83dacf15-2
0.226
IND-SYN-8f867502-1
0.225
DUN-NEW-f8ce3686-14
0.224
PET-SGC-6a1b02a9-1
0.224
WAR-XCH-b6889685-44
0.224
HEI-REL-0c990a45-6
0.223
PET-SGC-abcbce68-1
0.222
WIL-WAB-1289c0dd-2
0.220
JAN-GHE-1d98ec1c-5
0.220
CHR-UNK-b46452fc-1
0.217
CHR-UNK-e061132b-1
0.217
STU-CHA-83dacf15-1
0.217
WAR-XCH-b6889685-15
0.216
PET-SGC-ae7b447e-1
0.216
MAK-UNK-0b1cbb06-2
0.215
JAN-GHE-1d98ec1c-1
0.214
NAU-LAT-42d4957e-2
0.214
WAR-XCH-b72a1bbc-23
0.213
WAR-XCH-b6889685-23
0.213
STE-NAN-bafe64f0-3
0.213
WAR-XCH-b6889685-56
0.213
MAK-UNK-10799360-11
0.212
NIM-UNI-02269248-3
0.212
SAD-SAT-c989feaa-9
0.211
MAR-TRE-fd17a9b8-40
0.211
MAK-UNK-9a6be56d-31
0.211
PET-SGC-481b48b7-2
0.210
WAR-XCH-b6889685-21
0.210
LIZ-THE-6efed59f-2
0.210
LIZ-THE-d3ff4653-2
0.209
TAM-UNI-c140e31a-6
0.209
STU-CHA-83dacf15-3
0.209
WAR-XCH-b6889685-20
0.209
ALP-POS-91609ae9-2
0.208
SIM-SYN-3099a863-1
0.208
MAK-UNK-90d0606b-6
0.207
PET-SGC-05cff2e1-1
0.207
FRA-DIA-3f9ae552-1
0.207
MAR-TRE-6a44bbf2-33
0.207
WAR-XCH-b72a1bbc-5
0.207
SAD-SAT-5b1897b2-7
0.207
MAK-UNK-9a6be56d-24
0.206
WAR-XCH-b72a1bbc-47
0.206
WAR-XCH-b6889685-16
0.206
WAR-XCH-b72a1bbc-49
0.204
WAR-XCH-b72a1bbc-44
0.204
JAN-GHE-1d98ec1c-8
0.204
JAR-KUA-41bd5a3d-4
0.204
WAR-XCH-b72a1bbc-46
0.204
TAM-UNI-c140e31a-13
0.204
WAR-XCH-b6889685-54
0.202
WAR-XCH-b6889685-19
0.202
WAR-XCH-b6889685-46
0.202
HEI-REL-0c990a45-4
0.202
WIL-UNI-1faa9b10-35
0.202
JAN-GHE-1d98ec1c-9
0.200