Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)Nc1ccccc1-c1cccc(=O)[nH]1 |
MW: | 306.325 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 86.88 |
cLogP: | 3.0809 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
HUB-UNK-9845d277-14
0.579
HUB-UNK-9845d277-4
0.578
MAK-UNK-129dcd6f-5
0.519
BAR-COM-5694a99d-4
0.481
JIA-UNI-12b1f9ae-1
0.480
SAD-SAT-cefd50cc-1
0.440
AAR-POS-d2a4d1df-11
0.439
STE-LAU-aafa5dff-1
0.439
BAR-COM-5694a99d-5
0.434
MAK-UNK-30aad1f1-14
0.434
SAD-SAT-689b7d5a-5
0.432
MAK-UNK-d1e89583-4
0.431
MAK-UNK-129dcd6f-4
0.429
MAK-UNK-d1e89583-2
0.425
BAR-COM-5694a99d-3
0.422
ANN-UNI-26382800-3
0.417
DAR-DIA-842b4336-3
0.417
JOH-UNK-14e6adc5-2
0.417
BAR-COM-5694a99d-1
0.417
SAD-SAT-689b7d5a-1
0.416
MAK-UNK-30aad1f1-1
0.416
ANN-UNI-26382800-4
0.413
JOR-UNI-61e7b1d5-2
0.413
DAR-DIA-23aa0b97-5
0.413
WAR-XCH-eb7b662f-1
0.413
TAM-UNI-c140e31a-19
0.410
BAR-COM-5694a99d-2
0.405
CHR-SOS-363cfb78-1
0.400
DAR-DIA-842b4336-5
0.400
DAR-DIA-23aa0b97-14
0.397
JOR-UNI-2fc98d0b-7
0.397
DAR-DIA-842b4336-4
0.397
JAN-GHE-83b26c96-19
0.397
WAR-XCH-eb7b662f-7
0.397
WAR-XCH-eb7b662f-6
0.397
MAK-UNK-ae34c249-1
0.396
HUB-UNK-9845d277-16
0.396
IAN-BAS-df1706d7-1
0.395
DAR-DIA-842b4336-1
0.394
JOR-UNI-61e7b1d5-1
0.393
MAK-UNK-d1e89583-7
0.392
DAR-DIA-842b4336-9
0.390
WAR-XCH-eb7b662f-3
0.389
WIL-UNI-5578df48-26
0.386
MAK-UNK-d1e89583-1
0.384
DAR-DIA-23aa0b97-15
0.384
DAR-DIA-842b4336-2
0.384
WIL-UNI-5578df48-21
0.382
WAR-XCH-eb7b662f-2
0.380
WAR-XCH-6eb0722e-1
0.378
CHR-SOS-363cfb78-3
0.375
SAD-SAT-689b7d5a-8
0.373
WAR-XCH-6eb0722e-5
0.371
LON-WEI-4d77710c-22
0.371
LON-WEI-5e7d1b3e-22
0.371
MAK-UNK-d1e89583-8
0.370
ALE-HEI-f28a35b5-4
0.368
BAR-COM-21d20d65-5
0.368
DAR-DIA-842b4336-6
0.367
WAR-XCH-6eb0722e-4
0.367
WIL-UNI-5578df48-19
0.366
WIL-UNI-5578df48-20
0.365
DAR-DIA-842b4336-7
0.364
DAR-DIA-842b4336-8
0.364
WAR-XCH-eb7b662f-4
0.364
MAR-TRE-3e4e6814-47
0.364
WIL-UNI-5578df48-22
0.362
WAR-XCH-6eb0722e-3
0.362
ALE-HEI-f28a35b5-15
0.361
WIL-UNI-5578df48-18
0.360
WAR-XCH-eb7b662f-5
0.359
MAR-TRE-3e4e6814-93
0.358
MAR-TRE-74c6519b-54
0.357
BAR-COM-21d20d65-9
0.356
WIL-UNI-5578df48-24
0.356
MAK-UNK-129dcd6f-2
0.356
MAK-UNK-37f1d6fa-1
0.356
WIL-UNI-5578df48-27
0.356
MAK-UNK-129dcd6f-3
0.353
MAK-UNK-30aad1f1-12
0.349
MAK-UNK-30aad1f1-8
0.348
MAK-UNK-10dfa458-24
0.348
WIL-UNI-5578df48-29
0.348
MAK-UNK-de8f6d00-5
0.346
SAD-SAT-689b7d5a-3
0.346
TRY-UNI-bbd40bb4-4
0.345
SAD-SAT-f25ee457-7
0.344
WAR-XCH-6eb0722e-6
0.344
CHR-SOS-363cfb78-4
0.344
ASH-UNK-40b46b30-7
0.344
CHR-SOS-363cfb78-5
0.343
MAR-TRE-67513f76-81
0.343
WIL-UNI-5578df48-2
0.342
WIL-UNI-5578df48-15
0.341
WIL-UNI-5578df48-28
0.341
ALE-MCD-4ac17b19-1
0.341
MAK-UNK-129dcd6f-9
0.341
MAK-UNK-10dfa458-31
0.341
BAR-COM-21d20d65-1
0.341
WAR-XCH-6eb0722e-2
0.340