Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1-c1ccccc1NC(=O)Nc1cccnc1 |
MW: | 347.378 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 96.01 |
cLogP: | 3.746 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-129dcd6f-6
0.588
MAK-UNK-129dcd6f-3
0.568
MAK-UNK-129dcd6f-2
0.545
HUB-UNK-9845d277-3
0.519
MAK-UNK-129dcd6f-4
0.476
BAR-COM-5694a99d-2
0.469
MAK-UNK-129dcd6f-1
0.458
HUB-UNK-9845d277-4
0.451
MAK-UNK-d1e89583-4
0.444
SAD-SAT-689b7d5a-5
0.444
MAK-UNK-129dcd6f-8
0.439
JIA-UNI-12b1f9ae-1
0.436
SAD-SAT-cefd50cc-1
0.434
MAK-UNK-129dcd6f-7
0.434
BAR-COM-5694a99d-3
0.434
AAR-POS-d2a4d1df-11
0.433
BAR-COM-5694a99d-4
0.422
MAK-UNK-d1e89583-2
0.419
STE-LAU-aafa5dff-1
0.417
BAR-COM-5694a99d-5
0.412
WAR-XCH-eb7b662f-6
0.411
DAR-DIA-842b4336-1
0.408
IAN-BAS-df1706d7-1
0.407
TAM-UNI-c140e31a-19
0.405
SAD-SAT-689b7d5a-8
0.402
ASH-UNK-40b46b30-7
0.398
DAR-DIA-842b4336-2
0.397
MAK-UNK-30aad1f1-14
0.395
BAR-COM-5694a99d-1
0.395
WIL-UNI-5578df48-21
0.395
MAK-UNK-129dcd6f-12
0.393
WIL-UNI-5578df48-22
0.392
MAK-UNK-ae34c249-1
0.392
DAR-DIA-842b4336-4
0.392
JAN-GHE-83b26c96-19
0.392
JOR-UNI-2fc98d0b-7
0.392
WAR-XCH-eb7b662f-7
0.392
DAR-DIA-23aa0b97-14
0.392
DAR-DIA-842b4336-3
0.392
MAK-UNK-d1e89583-7
0.387
MAK-UNK-129dcd6f-9
0.384
WAR-XCH-eb7b662f-3
0.384
LON-WEI-5e7d1b3e-22
0.382
LON-WEI-4d77710c-22
0.382
ALE-HEI-f28a35b5-4
0.382
WIL-UNI-5578df48-26
0.381
SAD-SAT-689b7d5a-1
0.380
DAR-DIA-23aa0b97-15
0.378
DAR-DIA-842b4336-5
0.377
WAR-XCH-eb7b662f-4
0.377
DAR-DIA-842b4336-7
0.377
HUB-UNK-9845d277-14
0.375
JOH-UNK-14e6adc5-2
0.373
ANN-UNI-26382800-3
0.373
MAK-UNK-ca11b4f7-3
0.373
JOR-UNI-61e7b1d5-1
0.372
WAR-XCH-eb7b662f-5
0.372
JOR-UNI-61e7b1d5-2
0.372
ANN-UNI-26382800-4
0.372
DAR-DIA-23aa0b97-5
0.372
WAR-XCH-eb7b662f-1
0.372
CHR-SOS-363cfb78-3
0.371
ALE-MCD-4ac17b19-1
0.368
MAK-UNK-10dfa458-31
0.368
JOH-IMS-62aeb97d-5
0.368
WAR-XCH-6eb0722e-5
0.367
MAK-UNK-d1e89583-8
0.366
MAK-UNK-30aad1f1-1
0.366
SAD-SAT-689b7d5a-7
0.366
MAK-UNK-c749d764-17
0.364
WAR-XCH-6eb0722e-4
0.363
WIL-UNI-5578df48-19
0.361
MAK-UNK-d1e89583-1
0.360
MAK-UNK-10dfa458-24
0.360
CHR-SOS-363cfb78-1
0.359
DAR-DIA-842b4336-8
0.359
WAR-XCH-6eb0722e-1
0.359
SAD-SAT-689b7d5a-3
0.358
ALE-HEI-f28a35b5-15
0.356
SAD-SAT-f25ee457-7
0.356
TRY-UNI-714a760b-4
0.355
ALE-HEI-f28a35b5-1
0.355
WAR-XCH-6eb0722e-6
0.355
MAR-TRE-3e4e6814-93
0.354
MAK-UNK-37f1d6fa-1
0.352
BAR-COM-21d20d65-8
0.352
WIL-UNI-5578df48-24
0.352
BAR-COM-21d20d65-9
0.352
WAR-XCH-6eb0722e-2
0.351
DAR-DIA-842b4336-9
0.350
SAD-SAT-689b7d5a-6
0.349
BAR-COM-21d20d65-5
0.348
DAR-DIA-842b4336-6
0.346
MAR-TRE-2fd8122f-79
0.346
SAD-SAT-689b7d5a-9
0.346
WIL-UNI-5578df48-14
0.345
WIL-UNI-5578df48-20
0.345
MAK-UNK-f203cb68-13
0.344
WAR-XCH-6eb0722e-3
0.344
MAK-UNK-de8f6d00-5
0.343