Molecular Properties | |
SMILES: | C=Cc1ccc(Nc2ccc(NC(=O)Nc3cccnc3)cc2)nc1 |
MW: | 331.14 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 78.94 |
cLogP: | 4.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-30aad1f1-12
0.657
AAR-POS-d2a4d1df-11
0.484
ANN-UNI-26382800-3
0.478
JOH-UNK-14e6adc5-2
0.478
MAK-UNK-30aad1f1-7
0.470
WIL-UNI-5578df48-15
0.467
MAK-UNK-30aad1f1-8
0.446
MAK-UNK-d1e89583-1
0.443
MAK-UNK-129dcd6f-3
0.438
WIL-UNI-5578df48-14
0.436
WAR-XCH-eb7b662f-3
0.429
WIL-UNI-5578df48-18
0.427
DAR-DIA-23aa0b97-15
0.423
DAR-DIA-23aa0b97-14
0.417
JAN-GHE-83b26c96-19
0.417
WAR-XCH-eb7b662f-7
0.417
JOR-UNI-2fc98d0b-7
0.417
WIL-UNI-5578df48-17
0.415
DAR-DIA-842b4336-1
0.414
DAR-DIA-842b4336-2
0.403
MAK-UNK-ca11b4f7-2
0.400
MAK-UNK-30aad1f1-14
0.400
MAK-UNK-129dcd6f-12
0.398
WAR-XCH-eb7b662f-6
0.397
WIL-UNI-5578df48-16
0.395
MAK-UNK-d1e89583-7
0.392
ALE-MCD-4ac17b19-1
0.388
MAK-UNK-10dfa458-31
0.388
MAR-TRE-67513f76-81
0.385
MAK-UNK-30aad1f1-6
0.385
BAR-COM-5694a99d-5
0.384
DAR-DIA-842b4336-5
0.382
CHR-SOS-363cfb78-1
0.382
WAR-XCH-eb7b662f-4
0.382
WIL-UNI-5578df48-21
0.382
ALE-HEI-f28a35b5-14
0.380
ALE-HEI-f28a35b5-15
0.380
DAR-DIA-842b4336-4
0.378
DAR-DIA-842b4336-3
0.378
DAR-DIA-23aa0b97-5
0.377
JOR-UNI-61e7b1d5-2
0.377
ANN-UNI-26382800-4
0.377
WAR-XCH-eb7b662f-5
0.377
WAR-XCH-eb7b662f-1
0.377
TAM-UNI-c140e31a-19
0.375
MAK-UNK-de8f6d00-3
0.374
WIL-UNI-5578df48-28
0.373
SAD-SAT-f25ee457-8
0.373
MAK-UNK-d1e89583-4
0.373
JOH-IMS-62aeb97d-5
0.373
MAK-UNK-ca11b4f7-1
0.373
DAR-DIA-842b4336-9
0.372
BAR-COM-21d20d65-1
0.371
MAK-UNK-d1e89583-2
0.368
ALE-HEI-f28a35b5-4
0.368
SAD-SAT-cefd50cc-1
0.367
MAK-UNK-d1e89583-6
0.367
WIL-UNI-5578df48-19
0.366
WIL-UNI-5578df48-32
0.366
BAR-COM-21d20d65-3
0.364
DAR-DIA-842b4336-7
0.364
DAR-DIA-842b4336-8
0.364
BAR-COM-21d20d65-6
0.364
SAD-SAT-689b7d5a-3
0.362
WAR-XCH-eb7b662f-2
0.362
WIL-UNI-5578df48-22
0.362
BAR-COM-5694a99d-4
0.360
AUS-ARG-7cfdce8f-11
0.360
MAK-UNK-a7b37c5e-5
0.360
MAK-UNK-ca11b4f7-3
0.358
MAK-UNK-d1e89583-9
0.358
BAR-COM-21d20d65-4
0.356
WIL-UNI-5578df48-24
0.356
SAN-PRS-52b81272-2
0.356
ALE-HEI-f28a35b5-8
0.355
MAK-UNK-30aad1f1-1
0.355
MAK-UNK-30aad1f1-17
0.354
JIA-UNI-12b1f9ae-1
0.354
WIL-UNI-5578df48-26
0.353
BAR-COM-21d20d65-5
0.352
SAD-SAT-135344c3-7
0.352
SAD-SAT-24589cd1-4
0.351
MAK-UNK-d1e89583-5
0.350
DAR-DIA-842b4336-6
0.350
MAK-UNK-ae34c249-7
0.350
WIL-UNI-5578df48-20
0.349
SAD-SAT-689b7d5a-5
0.349
WIL-UNI-5578df48-29
0.348
MAK-UNK-a7b37c5e-4
0.347
DAR-DIA-842b4336-11
0.346
EDG-MED-0da5ad92-2
0.346
MAK-UNK-d1e89583-3
0.346
IAN-BAS-df1706d7-1
0.345
NAU-LAT-445f63e5-6
0.345
JOR-UNI-61e7b1d5-1
0.345
BAR-COM-21d20d65-2
0.344
WIL-UNI-5578df48-31
0.344
DAR-DIA-842b4336-16
0.342
SAD-SAT-689b7d5a-8
0.341
BAR-COM-21d20d65-9
0.341