Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)Nc1cccc(F)c1-c1cccc(=O)[nH]1 |
MW: | 324.315 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 86.88 |
cLogP: | 3.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
HUB-UNK-9845d277-16
0.643
HUB-UNK-9845d277-3
0.579
MAK-UNK-d1e89583-2
0.421
JIA-UNI-12b1f9ae-1
0.420
SAD-SAT-cefd50cc-1
0.418
DAR-DIA-842b4336-3
0.413
WAR-XCH-eb7b662f-6
0.413
MAK-UNK-d1e89583-4
0.408
HUB-UNK-9845d277-4
0.406
WAR-XCH-eb7b662f-2
0.395
JOH-UNK-14e6adc5-2
0.395
ANN-UNI-26382800-3
0.395
AAR-POS-d2a4d1df-11
0.394
MAK-UNK-129dcd6f-4
0.393
DAR-DIA-23aa0b97-5
0.392
WAR-XCH-eb7b662f-1
0.392
JOR-UNI-61e7b1d5-2
0.392
ANN-UNI-26382800-4
0.392
DAR-DIA-842b4336-1
0.392
BAR-COM-5694a99d-4
0.391
TAM-UNI-c140e31a-19
0.390
WAR-XCH-eb7b662f-3
0.387
BAR-COM-21d20d65-5
0.382
MAK-UNK-30aad1f1-14
0.382
DAR-DIA-842b4336-5
0.380
DAR-DIA-842b4336-7
0.380
CHR-SOS-363cfb78-1
0.380
JAN-GHE-83b26c96-19
0.377
JOR-UNI-2fc98d0b-7
0.377
WAR-XCH-eb7b662f-7
0.377
DAR-DIA-842b4336-4
0.377
DAR-DIA-23aa0b97-14
0.377
IAN-BAS-df1706d7-1
0.376
WAR-XCH-eb7b662f-5
0.375
JOR-UNI-61e7b1d5-1
0.375
MAK-UNK-129dcd6f-5
0.375
SAD-SAT-689b7d5a-8
0.372
STE-LAU-aafa5dff-1
0.371
DAR-DIA-842b4336-9
0.370
WAR-XCH-6eb0722e-5
0.370
MAK-UNK-30aad1f1-1
0.368
ALE-HEI-f28a35b5-4
0.367
BAR-COM-5694a99d-1
0.367
BAR-COM-5694a99d-5
0.367
DAR-DIA-23aa0b97-15
0.364
SAD-SAT-689b7d5a-5
0.364
DAR-DIA-842b4336-2
0.364
WIL-UNI-5578df48-21
0.362
WAR-XCH-eb7b662f-4
0.362
SAD-SAT-f25ee457-7
0.359
WAR-XCH-6eb0722e-6
0.358
BAR-COM-21d20d65-9
0.356
BAR-COM-5694a99d-2
0.356
BAR-COM-5694a99d-3
0.356
WIL-UNI-5578df48-27
0.355
LON-WEI-4d77710c-22
0.355
LON-WEI-5e7d1b3e-22
0.355
MAK-UNK-d1e89583-7
0.354
WIL-UNI-5578df48-26
0.352
WAR-XCH-6eb0722e-4
0.351
DAR-DIA-842b4336-6
0.349
WIL-UNI-5578df48-19
0.349
BAR-COM-21d20d65-3
0.348
WIL-UNI-5578df48-29
0.347
WAR-XCH-6eb0722e-1
0.347
WAR-XCH-6eb0722e-3
0.347
MAK-UNK-d1e89583-1
0.346
DAR-DIA-842b4336-8
0.346
WIL-UNI-5578df48-22
0.345
CHR-SOS-363cfb78-3
0.344
ASH-UNK-40b46b30-7
0.343
MAK-UNK-37f1d6fa-1
0.343
ALE-HEI-f28a35b5-15
0.342
MAK-UNK-a7b37c5e-5
0.342
WIL-UNI-5578df48-28
0.341
MAK-UNK-129dcd6f-9
0.341
WIL-UNI-5578df48-24
0.341
WAR-XCH-6eb0722e-2
0.340
MAK-UNK-30aad1f1-6
0.340
MAK-UNK-ca11b4f7-3
0.338
ISA-SCH-8e98219b-1
0.338
WIL-UNI-5578df48-20
0.333
KEI-TRE-d5e2018a-29
0.333
MAK-UNK-30aad1f1-12
0.333
MAK-UNK-10dfa458-24
0.333
WIL-UNI-5578df48-1
0.333
MAR-TRE-7f7bb9f0-56
0.333
MAK-UNK-30aad1f1-8
0.333
MAK-UNK-129dcd6f-12
0.333
MAK-UNK-ae34c249-1
0.330
BAR-COM-21d20d65-2
0.330
CAS-DEP-e179b1f5-1
0.330
WIL-UNI-5578df48-18
0.330
TRY-UNI-bbd40bb4-4
0.330
SAD-SAT-689b7d5a-3
0.329
DAR-DIA-842b4336-12
0.329
FRA-FAC-9ed5a63a-3
0.329
SAD-SAT-689b7d5a-1
0.327
SAD-SAT-689b7d5a-7
0.327
WIL-UNI-5578df48-25
0.326