Molecular Properties | |
SMILES: | NCCN1CCCc2ccc(S(N)(=O)=O)cc21 |
MW: | 255.1 |
Fraction sp3: | 0.45 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 89.42 |
cLogP: | 0.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2369571363 |
Enamine Extended REAL: | s_269982____10881480____9162144 |
Dye 22
AAR-POS-d2a4d1df-4
MAK-UNK-0b1cbb06-4
0.731
DUN-NEW-f8ce3686-14
0.700
PET-SGC-abcbce68-1
0.689
PET-SGC-6a1b02a9-1
0.672
PET-SGC-908c18f3-1
0.621
PET-SGC-c4a91520-1
0.594
PET-SGC-616b7348-1
0.586
AAR-POS-d2a4d1df-4
0.561
PAU-UNI-2d648ace-1
0.554
NAU-LAT-42d4957e-4
0.536
NAU-LAT-42d4957e-2
0.532
PET-SGC-59809fea-1
0.506
MAK-UNK-10799360-30
0.506
PET-SGC-05cff2e1-1
0.506
PAU-UNI-f4334617-1
0.494
MAK-UNK-0b1cbb06-2
0.493
MAK-UNK-10799360-15
0.488
NAU-LAT-42d4957e-5
0.477
TAM-UNI-c140e31a-6
0.474
PET-SGC-fc67af9f-1
0.451
PET-SGC-f913cec9-1
0.446
PET-SGC-210d4c30-1
0.446
PET-SGC-f913cec9-2
0.432
WIL-WAB-1289c0dd-2
0.416
JAR-IMP-ed466bb3-6
0.407
NAU-LAT-42d4957e-3
0.405
PET-SGC-481b48b7-1
0.405
DAR-DIA-37454fd7-1
0.385
DAR-DIA-37454fd7-2
0.374
MAK-UNK-9a6be56d-1
0.365
DAR-DIA-37454fd7-3
0.359
HAR-NEW-e34cb1ae-6
0.359
HEI-REL-0c990a45-1
0.359
MAK-UNK-0b1cbb06-5
0.357
MAK-UNK-0b1cbb06-1
0.354
HAR-NEW-e34cb1ae-5
0.349
MAK-UNK-9a6be56d-2
0.349
MAK-UNK-53da93bf-2
0.343
TAM-UNI-c140e31a-4
0.341
JOK-SYG-6ec557d2-1
0.333
JOK-SYG-ac99ed27-1
0.329
IND-SYN-8f867502-2
0.328
ASH-SAT-43770c7d-2
0.325
HAR-NEW-e34cb1ae-3
0.311
TAM-UNI-c140e31a-12
0.310
HAR-NEW-e34cb1ae-4
0.306
TAM-UNI-c140e31a-17
0.305
JAC-UNI-14c2e728-1
0.304
IND-SYN-8f867502-3
0.304
IND-SYN-058869ff-1
0.304
MAK-UNK-9a6be56d-11
0.303
IND-SYN-8f867502-1
0.300
MAK-UNK-9a6be56d-18
0.299
MAK-UNK-9a6be56d-12
0.296
MAK-UNK-9a6be56d-10
0.296
MAK-UNK-9a6be56d-24
0.296
HEI-REL-0c990a45-2
0.296
MAK-UNK-53da93bf-3
0.295
MAK-UNK-9a6be56d-17
0.294
SAD-SAT-5b1897b2-7
0.292
MAR-TRE-6a44bbf2-33
0.292
MAK-UNK-9a6be56d-22
0.291
MAK-UNK-9a6be56d-8
0.291
MAK-UNK-9a6be56d-23
0.291
STE-NAN-bafe64f0-1
0.290
MAK-UNK-9a6be56d-14
0.288
MAK-UNK-9a6be56d-15
0.288
MAK-UNK-9a6be56d-16
0.288
MAK-UNK-9a6be56d-19
0.286
MAK-UNK-9a6be56d-9
0.282
HEI-REL-0c990a45-6
0.280
TAM-UNI-c140e31a-14
0.278
HEI-REL-0c990a45-3
0.277
MAK-UNK-9a6be56d-21
0.274
STU-CHA-83dacf15-2
0.273
TAM-UNI-c140e31a-1
0.272
STU-CHA-83dacf15-3
0.264
STU-CHA-83dacf15-1
0.261
TAM-UNI-c140e31a-8
0.255
PED-UNI-89deb5c9-1
0.253
WAR-XCH-b72a1bbc-14
0.250
JAR-IMP-ed466bb3-1
0.250
TAM-UNI-c140e31a-9
0.250
LIZ-THE-d3ff4653-2
0.246
MAK-UNK-9a6be56d-5
0.246
TAM-UNI-c140e31a-13
0.244
MAK-UNK-9a6be56d-25
0.244
MAK-UNK-9a6be56d-31
0.243
TAM-UNI-c140e31a-7
0.239
MAK-UNK-9a6be56d-3
0.239
JAN-GHE-1d98ec1c-5
0.238
WIL-LEE-23e8b574-7
0.237
ASH-UNK-40b46b30-18
0.235
MAR-TRE-6a44bbf2-46
0.235
MAK-UNK-90d0606b-6
0.234
SIM-DEM-5935bd74-7
0.234
PED-UNI-d0b586b3-1
0.233
WAR-XCH-b72a1bbc-23
0.233
WAR-XCH-b6889685-23
0.233
WAR-XCH-b72a1bbc-45
0.233