Molecular Properties | |
SMILES: | N#Cc1ccc(Nc2ccccc2NC(=O)Nc2cccnc2)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
0.630
MAK-UNK-30aad1f1-1
0.613
MAK-UNK-30aad1f1-8
0.597
MAK-UNK-30aad1f1-15
0.570
MAK-UNK-30aad1f1-7
0.524
MAK-UNK-30aad1f1-6
0.500
JOH-UNK-14e6adc5-2
0.500
ANN-UNI-26382800-3
0.500
MAK-UNK-30aad1f1-9
0.494
JOR-UNI-61e7b1d5-1
0.481
MAK-UNK-30aad1f1-17
0.481
ANN-UNI-26382800-4
0.473
DAR-DIA-23aa0b97-5
0.473
WAR-XCH-eb7b662f-1
0.473
JOR-UNI-61e7b1d5-2
0.473
MAK-UNK-30aad1f1-16
0.463
CHR-SOS-363cfb78-1
0.459
STE-LAU-aafa5dff-1
0.440
DAR-DIA-842b4336-5
0.440
MAK-UNK-30aad1f1-4
0.438
WAR-XCH-eb7b662f-2
0.436
HUB-UNK-9845d277-3
0.434
DAR-DIA-842b4336-9
0.429
WAR-XCH-6eb0722e-1
0.427
CHR-SOS-363cfb78-3
0.425
JIA-UNI-12b1f9ae-1
0.425
WAR-XCH-6eb0722e-3
0.424
BAR-COM-5694a99d-2
0.424
AAR-POS-d2a4d1df-11
0.420
BAR-COM-5694a99d-1
0.419
BAR-COM-5694a99d-5
0.419
MAK-UNK-129dcd6f-4
0.414
MAK-UNK-d1e89583-4
0.413
BAR-COM-5694a99d-4
0.412
MAK-UNK-d1e89583-2
0.408
DAR-DIA-842b4336-6
0.405
SAD-SAT-cefd50cc-1
0.405
MAK-UNK-51bb34f9-1
0.400
MAK-UNK-10dfa458-16
0.400
SAD-SAT-689b7d5a-5
0.400
IAN-BAS-df1706d7-1
0.398
MAK-UNK-129dcd6f-5
0.395
TAM-UNI-c140e31a-19
0.395
BAR-COM-5694a99d-3
0.391
MAK-UNK-30aad1f1-2
0.386
MAK-UNK-30aad1f1-3
0.386
HUB-UNK-9845d277-14
0.382
DAR-DIA-842b4336-4
0.382
DAR-DIA-842b4336-1
0.378
DAR-DIA-23aa0b97-17
0.378
ANN-UNI-26382800-5
0.378
MAK-UNK-10dfa458-31
0.375
CHR-SOS-363cfb78-4
0.375
MAR-TRE-2fd8122f-69
0.373
WAR-XCH-eb7b662f-3
0.373
ALE-HEI-f28a35b5-4
0.372
WIL-UNI-5578df48-19
0.369
DAR-DIA-842b4336-2
0.368
DAR-DIA-23aa0b97-15
0.368
DAR-DIA-842b4336-7
0.367
MAK-UNK-10dfa458-24
0.367
JAN-GHE-83b26c96-19
0.364
JOR-UNI-2fc98d0b-7
0.364
DAR-DIA-842b4336-3
0.364
WAR-XCH-eb7b662f-7
0.364
WAR-XCH-eb7b662f-6
0.364
DAR-DIA-23aa0b97-14
0.364
WIL-UNI-5578df48-15
0.361
SAD-SAT-689b7d5a-8
0.360
CHR-SOS-363cfb78-5
0.360
MAK-UNK-d1e89583-7
0.359
LON-WEI-4d77710c-22
0.359
LON-WEI-5e7d1b3e-22
0.359
SAD-SAT-689b7d5a-1
0.358
MAK-UNK-51bb34f9-2
0.357
MAK-UNK-d1e89583-6
0.354
MAK-UNK-d1e89583-1
0.351
MAK-UNK-51bb34f9-3
0.351
WIL-UNI-5578df48-21
0.350
WAR-XCH-eb7b662f-4
0.350
DAR-DIA-842b4336-8
0.350
WIL-UNI-5578df48-22
0.349
NAU-LAT-445f63e5-6
0.348
MAR-TRE-67513f76-81
0.348
WIL-UNI-5578df48-31
0.347
ALE-HEI-f28a35b5-15
0.347
AUS-ARG-7cfdce8f-11
0.346
WAR-XCH-eb7b662f-5
0.346
WAR-XCH-6eb0722e-5
0.344
BAR-COM-21d20d65-7
0.344
SAD-SAT-689b7d5a-7
0.344
ALE-HEI-f28a35b5-8
0.342
WIL-UNI-5578df48-26
0.341
WAR-XCH-6eb0722e-4
0.340
WIL-UNI-5578df48-32
0.340
HUB-UNK-9845d277-4
0.340
DAR-DIA-842b4336-14
0.337
SAD-SAT-689b7d5a-9
0.337
TRY-UNI-714a760b-24
0.337
MAK-UNK-de8f6d00-5
0.336