Molecular Properties | |
SMILES: | CS(=O)(=O)NCCCc1ccc(C#N)cc1NC(=O)Nc1cccnc1 |
MW: | 373.438 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 123.98 |
cLogP: | 2.07908 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Hetero_hetero
WAR-XCH-6eb0722e-1
0.813
WAR-XCH-6eb0722e-6
0.713
WAR-XCH-6eb0722e-2
0.704
WAR-XCH-6eb0722e-5
0.576
WAR-XCH-6eb0722e-4
0.570
JOR-UNI-61e7b1d5-1
0.466
ANN-UNI-26382800-3
0.443
JOH-UNK-14e6adc5-2
0.443
DAR-DIA-23aa0b97-5
0.439
ANN-UNI-26382800-4
0.439
WAR-XCH-eb7b662f-1
0.439
JOR-UNI-61e7b1d5-2
0.439
CHR-SOS-363cfb78-1
0.427
MAK-UNK-30aad1f1-14
0.424
MAK-UNK-30aad1f1-1
0.423
BAR-COM-5694a99d-4
0.418
JIA-UNI-12b1f9ae-1
0.414
BAR-COM-5694a99d-1
0.409
WAR-XCH-eb7b662f-2
0.407
ADA-UNI-f8e79267-2
0.407
BAR-COM-5694a99d-5
0.394
ADA-UNI-f8e79267-8
0.392
IAN-BAS-df1706d7-1
0.389
SAD-SAT-f25ee457-7
0.385
DAR-DIA-842b4336-9
0.384
BAR-COM-5694a99d-3
0.383
MAK-UNK-d1e89583-2
0.381
DAR-DIA-842b4336-6
0.379
DUN-NEW-f8ce3686-4
0.379
DAR-DIA-842b4336-5
0.376
MAK-UNK-30aad1f1-12
0.376
SAD-SAT-689b7d5a-5
0.376
SIM-DEM-f31d0e65-1
0.376
MAK-UNK-30aad1f1-8
0.375
BEN-DND-61647d40-8
0.375
DRE-WAB-ae4a693c-1
0.374
PET-SGC-b0f8bd49-1
0.374
BEN-DND-362d364a-12
0.374
PET-SGC-d0156db4-1
0.374
WAR-XCH-eb7b662f-6
0.373
AAR-POS-d2a4d1df-11
0.372
ANN-UNI-26382800-5
0.371
PET-SGC-0f1d26ed-2
0.371
DAR-DIA-23aa0b97-17
0.371
MAD-FNM-74857450-1
0.370
SAD-SAT-689b7d5a-8
0.370
MAK-UNK-d1e89583-4
0.369
ASH-UNK-40b46b30-7
0.369
BAR-COM-5694a99d-2
0.368
STE-LAU-aafa5dff-1
0.368
CHR-SOS-363cfb78-5
0.368
MAK-UNK-30aad1f1-7
0.367
MAR-TRE-2fd8122f-69
0.367
TRY-UNI-1fd04853-3
0.366
MAK-UNK-30aad1f1-6
0.366
SER-UNI-985a0e14-1
0.364
WIL-UNI-5578df48-19
0.363
ASH-UNK-40b46b30-13
0.362
HUB-UNK-9845d277-3
0.362
DAR-DIA-842b4336-2
0.361
MAK-UNK-129dcd6f-4
0.361
DAR-DIA-842b4336-7
0.360
ADA-UNI-f8e79267-1
0.358
PET-SGC-d0156db4-2
0.358
CHR-SOS-363cfb78-3
0.357
WIL-UNI-5578df48-31
0.356
CHR-SOS-363cfb78-4
0.356
MAK-UNK-37f1d6fa-1
0.354
SAD-SAT-689b7d5a-1
0.353
MAK-UNK-51bb34f9-2
0.352
WIL-UNI-5578df48-32
0.350
WAR-XCH-eb7b662f-3
0.349
ALE-HEI-f28a35b5-4
0.349
SAD-SAT-cefd50cc-1
0.348
DAR-DIA-842b4336-14
0.348
TRY-UNI-714a760b-24
0.348
HUB-UNK-9845d277-14
0.347
ZAC-WAB-d55a3c2e-2
0.347
ZAC-WAB-3baddbb3-1
0.347
MAK-UNK-10dfa458-24
0.347
ADA-UNI-f8e79267-7
0.347
MAK-UNK-51bb34f9-3
0.346
DAR-DIA-23aa0b97-15
0.345
WIL-UNI-5578df48-21
0.345
ASH-UNK-40b46b30-3
0.344
MAK-UNK-129dcd6f-5
0.344
ALE-HEI-f28a35b5-15
0.341
WAR-XCH-eb7b662f-7
0.341
DAR-DIA-23aa0b97-14
0.341
JAN-GHE-83b26c96-19
0.341
DAR-DIA-842b4336-3
0.341
JOR-UNI-2fc98d0b-7
0.341
WAR-XCH-eb7b662f-5
0.341
TAM-UNI-c140e31a-19
0.341
WIL-UNI-5578df48-15
0.341
MAK-UNK-10dfa458-31
0.340
ALE-MCD-4ac17b19-1
0.340
BAR-COM-21d20d65-7
0.340
WIL-UNI-5578df48-25
0.340
DAR-DIA-842b4336-1
0.337