Molecular Properties | |
SMILES: | NCN1CCCc2ccc(S(N)(=O)=O)cc21 |
MW: | 241.09 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 89.42 |
cLogP: | 0.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
acyclic N-C-N
Dye 22
AAR-POS-d2a4d1df-4
MAK-UNK-0b1cbb06-3
0.731
DUN-NEW-f8ce3686-14
0.607
PET-SGC-6a1b02a9-1
0.607
PET-SGC-abcbce68-1
0.597
AAR-POS-d2a4d1df-4
0.574
NAU-LAT-42d4957e-4
0.569
PET-SGC-908c18f3-1
0.561
PET-SGC-c4a91520-1
0.536
PET-SGC-616b7348-1
0.529
MAK-UNK-0b1cbb06-2
0.521
PAU-UNI-2d648ace-1
0.521
TAM-UNI-c140e31a-6
0.500
NAU-LAT-42d4957e-2
0.481
MAK-UNK-10799360-15
0.458
PET-SGC-05cff2e1-1
0.457
MAK-UNK-10799360-30
0.457
PET-SGC-59809fea-1
0.457
NAU-LAT-42d4957e-5
0.447
PAU-UNI-f4334617-1
0.446
WIL-WAB-1289c0dd-2
0.435
PET-SGC-481b48b7-1
0.429
NAU-LAT-42d4957e-3
0.429
JAR-IMP-ed466bb3-6
0.425
PET-SGC-fc67af9f-1
0.422
PET-SGC-f913cec9-2
0.404
PET-SGC-f913cec9-1
0.402
DAR-DIA-37454fd7-1
0.402
PET-SGC-210d4c30-1
0.402
DAR-DIA-37454fd7-2
0.389
DAR-DIA-37454fd7-3
0.374
TAM-UNI-c140e31a-4
0.372
MAK-UNK-9a6be56d-1
0.366
MAK-UNK-9a6be56d-2
0.363
HEI-REL-0c990a45-1
0.360
HAR-NEW-e34cb1ae-6
0.360
MAK-UNK-0b1cbb06-5
0.358
MAK-UNK-0b1cbb06-1
0.355
HAR-NEW-e34cb1ae-5
0.350
JOK-SYG-6ec557d2-1
0.333
TAM-UNI-c140e31a-17
0.333
JOK-SYG-ac99ed27-1
0.329
IND-SYN-8f867502-2
0.328
TAM-UNI-c140e31a-12
0.325
SAD-SAT-5b1897b2-7
0.309
MAR-TRE-6a44bbf2-33
0.309
ASH-SAT-43770c7d-2
0.309
MAK-UNK-9a6be56d-24
0.308
IND-SYN-058869ff-1
0.303
JAC-UNI-14c2e728-1
0.303
IND-SYN-8f867502-3
0.303
MAK-UNK-9a6be56d-11
0.302
IND-SYN-8f867502-1
0.299
MAK-UNK-9a6be56d-18
0.298
MAK-UNK-9a6be56d-12
0.295
MAK-UNK-9a6be56d-10
0.295
HEI-REL-0c990a45-2
0.295
MAK-UNK-9a6be56d-17
0.292
HEI-REL-0c990a45-3
0.291
TAM-UNI-c140e31a-14
0.291
MAK-UNK-9a6be56d-8
0.290
MAK-UNK-9a6be56d-22
0.290
MAK-UNK-9a6be56d-23
0.290
STE-NAN-bafe64f0-1
0.289
MAK-UNK-9a6be56d-14
0.287
MAK-UNK-9a6be56d-15
0.287
MAK-UNK-9a6be56d-16
0.287
MAK-UNK-53da93bf-2
0.286
MAK-UNK-9a6be56d-21
0.284
MAK-UNK-9a6be56d-19
0.284
TAM-UNI-c140e31a-1
0.284
MAK-UNK-9a6be56d-9
0.280
TAM-UNI-c140e31a-8
0.280
HAR-NEW-e34cb1ae-4
0.278
HEI-REL-0c990a45-6
0.278
STU-CHA-83dacf15-3
0.276
STU-CHA-83dacf15-1
0.274
STU-CHA-83dacf15-2
0.271
WAR-XCH-b72a1bbc-14
0.266
TAM-UNI-c140e31a-9
0.260
MAK-UNK-53da93bf-3
0.260
HAR-NEW-e34cb1ae-3
0.260
MAK-UNK-90d0606b-6
0.258
SAD-SAT-cefd50cc-9
0.256
TAM-UNI-c140e31a-13
0.256
MIH-UNI-6b9ca91a-9
0.250
ASH-UNK-40b46b30-10
0.250
JAN-GHE-1d98ec1c-5
0.250
JAN-GHE-1d98ec1c-10
0.250
TAM-UNI-c140e31a-7
0.250
TAM-UNI-c140e31a-18
0.250
JAR-IMP-ed466bb3-1
0.247
TAM-UNI-c140e31a-5
0.247
MAR-TRE-6a44bbf2-46
0.247
WAR-XCH-b72a1bbc-23
0.246
WAR-XCH-b6889685-23
0.246
WAR-XCH-b72a1bbc-9
0.246
WAR-XCH-b72a1bbc-1
0.246
ASH-UNK-40b46b30-18
0.245
JAN-GHE-1d98ec1c-1
0.244
MAK-UNK-9a6be56d-5
0.243