Molecular Properties | |
SMILES: | N#Cc1ccncc1NC(=O)c1cccc(NC(=O)Nc2cccnc2)c1 |
MW: | 358.12 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 119.8 |
cLogP: | 3.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-10dfa458-31
0.694
MAK-UNK-129dcd6f-9
0.671
ANN-UNI-26382800-4
0.528
DAR-DIA-23aa0b97-5
0.528
WAR-XCH-eb7b662f-1
0.528
JOR-UNI-61e7b1d5-2
0.528
WIL-UNI-5578df48-19
0.487
WIL-UNI-5578df48-21
0.473
JOR-UNI-2fc98d0b-7
0.472
JAN-GHE-83b26c96-19
0.472
WAR-XCH-eb7b662f-7
0.472
DAR-DIA-23aa0b97-14
0.472
WAR-XCH-eb7b662f-6
0.472
MAK-UNK-30aad1f1-8
0.459
CHR-SOS-363cfb78-1
0.453
JOH-UNK-14e6adc5-2
0.452
ANN-UNI-26382800-3
0.452
WIL-UNI-5578df48-22
0.449
BAR-COM-21d20d65-7
0.448
BAR-COM-21d20d65-5
0.447
MAK-UNK-129dcd6f-12
0.446
WIL-UNI-5578df48-28
0.439
DAR-DIA-842b4336-6
0.436
MAK-UNK-129dcd6f-2
0.435
DAR-DIA-842b4336-5
0.434
WIL-UNI-5578df48-26
0.434
MAK-UNK-6ca90168-29
0.431
WAR-XCH-eb7b662f-2
0.430
MAK-UNK-30aad1f1-6
0.429
BAR-COM-21d20d65-3
0.425
DAR-DIA-842b4336-9
0.423
BAR-COM-21d20d65-8
0.419
BAR-COM-21d20d65-9
0.419
WIL-UNI-5578df48-24
0.419
BAR-COM-21d20d65-4
0.419
MAK-UNK-6ca90168-28
0.417
MAK-UNK-37f1d6fa-6
0.416
MAK-UNK-6ca90168-23
0.415
AAR-POS-d2a4d1df-11
0.414
SAD-SAT-24589cd1-5
0.410
ALP-POS-95b75b4d-9
0.410
BAR-COM-21d20d65-6
0.409
MAK-UNK-d1e89583-7
0.408
CHR-SOS-7098f804-12
0.408
JOR-UNI-61e7b1d5-1
0.407
WAR-XCH-eb7b662f-3
0.405
SAD-SAT-f25ee457-8
0.405
BAR-COM-21d20d65-2
0.404
CHR-SOS-363cfb78-3
0.404
BAR-COM-21d20d65-1
0.400
SAD-SAT-cefd50cc-1
0.400
DAR-DIA-23aa0b97-15
0.400
WIL-UNI-5578df48-20
0.395
MAK-UNK-129dcd6f-4
0.393
DAR-DIA-842b4336-1
0.392
WIL-UNI-5578df48-15
0.390
MAK-UNK-d1e89583-4
0.390
WIL-UNI-5578df48-31
0.387
WIL-UNI-5578df48-27
0.385
MAK-UNK-30aad1f1-7
0.385
MAK-UNK-d1e89583-2
0.385
WIL-UNI-5578df48-25
0.385
CHR-SOS-363cfb78-5
0.384
MAK-UNK-129dcd6f-3
0.384
DAR-DIA-842b4336-2
0.382
SAD-SAT-135344c3-7
0.380
DAR-DIA-842b4336-8
0.380
DAR-DIA-842b4336-7
0.380
WAR-XCH-eb7b662f-4
0.380
MAK-UNK-30aad1f1-12
0.379
WIL-UNI-5578df48-23
0.378
DAR-DIA-842b4336-3
0.377
DAR-DIA-842b4336-4
0.377
IAN-BAS-df1706d7-1
0.376
WIL-UNI-5578df48-29
0.376
WIL-UNI-5578df48-30
0.376
WAR-XCH-eb7b662f-5
0.375
MAK-UNK-009ebe36-2
0.374
TAM-UNI-c140e31a-19
0.373
CHR-SOS-363cfb78-4
0.371
KEI-TRE-d5e2018a-90
0.367
ALE-HEI-f28a35b5-4
0.367
MAK-UNK-30aad1f1-14
0.367
TRY-UNI-714a760b-24
0.365
WIL-UNI-5578df48-32
0.365
MAR-TRE-3e4e6814-45
0.363
WIL-UNI-5578df48-16
0.363
CHR-SOS-7098f804-21
0.362
WAR-XCH-6eb0722e-1
0.362
SAD-SAT-689b7d5a-3
0.361
MAK-UNK-51bb34f9-3
0.361
KEI-TRE-d5e2018a-28
0.360
WIL-UNI-5578df48-18
0.360
MAR-TRE-f6f5f473-29
0.360
MAK-UNK-129dcd6f-5
0.360
ANN-UNI-26382800-5
0.357
DAR-DIA-23aa0b97-17
0.357
SAD-SAT-689b7d5a-8
0.356
MAK-UNK-51bb34f9-2
0.354
MAR-TRE-2fd8122f-66
0.351