Molecular Properties | |
SMILES: | N#Cc1ccc(Nc2cccc(NC(=O)Nc3cccnc3)c2)nc1 |
MW: | 330.351 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 102.73 |
cLogP: | 3.73588 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAK-UNK-30aad1f1-12
0.690
MAK-UNK-30aad1f1-6
0.605
MAK-UNK-30aad1f1-14
0.597
ANN-UNI-26382800-4
0.594
DAR-DIA-23aa0b97-5
0.594
WAR-XCH-eb7b662f-1
0.594
JOR-UNI-61e7b1d5-2
0.594
MAK-UNK-30aad1f1-7
0.537
JOH-UNK-14e6adc5-2
0.514
ANN-UNI-26382800-3
0.514
MAK-UNK-30aad1f1-16
0.512
MAK-UNK-30aad1f1-1
0.494
CHR-SOS-363cfb78-1
0.493
MAK-UNK-30aad1f1-17
0.474
DAR-DIA-23aa0b97-14
0.472
WAR-XCH-eb7b662f-7
0.472
WAR-XCH-eb7b662f-6
0.472
JOR-UNI-2fc98d0b-7
0.472
JAN-GHE-83b26c96-19
0.472
WIL-UNI-5578df48-19
0.468
WAR-XCH-eb7b662f-2
0.468
MAK-UNK-10dfa458-24
0.459
WIL-UNI-5578df48-21
0.453
MAK-UNK-10dfa458-16
0.446
DAR-DIA-842b4336-9
0.442
JOR-UNI-61e7b1d5-1
0.440
MAK-UNK-30aad1f1-15
0.437
BAR-COM-21d20d65-7
0.432
WIL-UNI-5578df48-22
0.430
WAR-XCH-eb7b662f-3
0.425
WIL-UNI-5578df48-28
0.422
DAR-DIA-842b4336-6
0.418
DAR-DIA-842b4336-5
0.416
AAR-POS-d2a4d1df-11
0.414
MAK-UNK-51bb34f9-1
0.410
BAR-COM-21d20d65-3
0.409
MAK-UNK-d1e89583-7
0.408
ANN-UNI-26382800-5
0.407
MAK-UNK-30aad1f1-9
0.404
MAK-UNK-129dcd6f-9
0.402
MAK-UNK-10dfa458-31
0.402
BAR-COM-21d20d65-4
0.402
DAR-DIA-23aa0b97-15
0.400
WIL-UNI-5578df48-26
0.400
BAR-COM-21d20d65-5
0.398
MAK-UNK-30aad1f1-3
0.398
WIL-UNI-5578df48-20
0.395
MAR-TRE-2fd8122f-57
0.395
BAR-COM-21d20d65-6
0.393
DAR-DIA-842b4336-1
0.392
WAR-XCH-6eb0722e-1
0.391
DAR-DIA-23aa0b97-17
0.390
MAK-UNK-009ebe36-2
0.389
BAR-COM-21d20d65-2
0.389
SAD-SAT-f25ee457-8
0.388
MAK-UNK-30aad1f1-4
0.387
BAR-COM-21d20d65-9
0.386
WIL-UNI-5578df48-24
0.386
BAR-COM-21d20d65-8
0.386
MAK-UNK-129dcd6f-2
0.386
WIL-UNI-5578df48-27
0.385
BAR-COM-21d20d65-1
0.385
MAK-UNK-30aad1f1-2
0.382
DAR-DIA-842b4336-2
0.382
SAD-SAT-135344c3-7
0.380
WAR-XCH-eb7b662f-4
0.380
WIL-UNI-5578df48-32
0.379
DAR-DIA-23aa0b97-8
0.378
DAR-DIA-23aa0b97-4
0.378
WIL-UNI-5578df48-23
0.378
WIL-UNI-5578df48-29
0.376
WAR-XCH-eb7b662f-5
0.375
WAR-XCH-6eb0722e-3
0.375
WIL-UNI-5578df48-15
0.373
MAK-UNK-d1e89583-4
0.372
WIL-UNI-5578df48-25
0.370
ALE-HEI-f28a35b5-4
0.367
SAD-SAT-cefd50cc-1
0.366
TRY-UNI-714a760b-24
0.365
DAR-DIA-842b4336-7
0.362
DAR-DIA-842b4336-8
0.362
WIL-UNI-5578df48-30
0.362
SAD-SAT-689b7d5a-3
0.361
MAK-UNK-51bb34f9-3
0.361
IAN-BAS-df1706d7-1
0.360
DAR-DIA-842b4336-3
0.359
DAR-DIA-842b4336-4
0.359
CHR-SOS-363cfb78-3
0.359
WIL-UNI-5578df48-31
0.358
MAK-UNK-51bb34f9-2
0.354
MAR-TRE-2fd8122f-69
0.353
MAK-UNK-de8f6d00-2
0.352
JOR-UNI-61e7b1d5-20
0.351
MAK-UNK-d1e89583-2
0.350
HUB-UNK-9845d277-3
0.348
MAK-UNK-129dcd6f-12
0.348
MAK-UNK-129dcd6f-4
0.348
DAR-DIA-23aa0b97-11
0.348
MAK-UNK-d1e89583-1
0.346
CHR-SOS-363cfb78-5
0.343