Molecular Properties | |
SMILES: | N#Cc1coc(NC(=O)Nc2cccnc2)n1 |
MW: | 229.199 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 103.84 |
cLogP: | 1.58528 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
DAR-DIA-842b4336-7
0.644
DAR-DIA-842b4336-8
0.644
JOH-UNK-14e6adc5-2
0.516
ANN-UNI-26382800-3
0.516
WAR-XCH-eb7b662f-1
0.508
JOR-UNI-61e7b1d5-2
0.508
ANN-UNI-26382800-4
0.508
DAR-DIA-23aa0b97-5
0.508
DAR-DIA-842b4336-9
0.500
DAR-DIA-842b4336-5
0.492
CHR-SOS-363cfb78-1
0.492
AAR-POS-d2a4d1df-11
0.475
WIL-UNI-5578df48-19
0.465
WAR-XCH-eb7b662f-2
0.464
SAD-SAT-689b7d5a-9
0.449
WAR-XCH-eb7b662f-6
0.446
JOR-UNI-2fc98d0b-7
0.446
WAR-XCH-eb7b662f-7
0.446
DAR-DIA-23aa0b97-14
0.446
JAN-GHE-83b26c96-19
0.446
DAR-DIA-842b4336-1
0.444
ALE-HEI-f28a35b5-8
0.439
MAK-UNK-d1e89583-7
0.439
WAR-XCH-eb7b662f-3
0.438
MAK-UNK-10dfa458-24
0.436
DAR-DIA-23aa0b97-15
0.431
DAR-DIA-842b4336-2
0.431
MAK-UNK-10dfa458-31
0.429
FRA-FAC-9ed5a63a-3
0.426
WIL-UNI-5578df48-21
0.426
DAR-DIA-842b4336-4
0.424
DAR-DIA-842b4336-3
0.424
FRA-FAC-9ed5a63a-4
0.423
WIL-UNI-5578df48-20
0.421
MAK-UNK-30aad1f1-12
0.421
WAR-XCH-eb7b662f-5
0.420
MAK-UNK-d1e89583-4
0.418
MAK-UNK-30aad1f1-8
0.418
JOR-UNI-61e7b1d5-1
0.416
MAR-TRE-67513f76-81
0.414
MAK-UNK-d1e89583-2
0.412
ALE-HEI-f28a35b5-4
0.412
MAK-UNK-d1e89583-1
0.409
DAR-DIA-842b4336-14
0.408
MAK-UNK-30aad1f1-7
0.407
ALE-HEI-f28a35b5-15
0.406
WAR-XCH-eb7b662f-4
0.406
MAK-UNK-30aad1f1-14
0.405
MAK-UNK-30aad1f1-6
0.405
MAK-UNK-30aad1f1-1
0.405
WIL-UNI-5578df48-22
0.403
WIL-UNI-5578df48-23
0.400
WIL-UNI-5578df48-15
0.397
CHR-SOS-363cfb78-3
0.395
JIA-UNI-12b1f9ae-1
0.392
BAR-COM-21d20d65-7
0.390
SAD-SAT-cefd50cc-1
0.389
WIL-UNI-5578df48-14
0.387
WIL-UNI-5578df48-17
0.385
WIL-UNI-5578df48-32
0.384
SAD-SAT-689b7d5a-3
0.384
MAK-UNK-d1e89583-3
0.384
MAK-UNK-ca11b4f7-2
0.383
MAK-UNK-ca11b4f7-3
0.383
IAN-BAS-df1706d7-1
0.382
WAR-XCH-6eb0722e-1
0.381
WAR-XCH-6eb0722e-3
0.379
TAM-UNI-c140e31a-19
0.378
DAR-DIA-23aa0b97-17
0.378
MAK-UNK-d1e89583-9
0.378
DAR-DIA-842b4336-15
0.378
MAK-UNK-ca11b4f7-1
0.377
JOH-IMS-62aeb97d-5
0.377
SAD-SAT-f25ee457-8
0.377
WIL-UNI-5578df48-28
0.377
WIL-UNI-5578df48-31
0.376
BAR-COM-21d20d65-8
0.375
CHR-SOS-363cfb78-4
0.375
MAK-UNK-129dcd6f-2
0.375
BAR-COM-5694a99d-3
0.375
TRY-UNI-bbd40bb4-3
0.373
WIL-UNI-5578df48-25
0.373
WIL-UNI-5578df48-27
0.373
WIL-UNI-5578df48-26
0.372
BAR-COM-5694a99d-1
0.370
BAR-COM-21d20d65-5
0.370
MAK-UNK-d1e89583-5
0.370
MAK-UNK-d1e89583-6
0.370
SAD-SAT-689b7d5a-5
0.367
HUB-UNK-9845d277-3
0.367
WIL-UNI-5578df48-2
0.364
BAR-COM-5694a99d-4
0.362
TRY-UNI-bbd40bb4-4
0.362
BAR-COM-21d20d65-2
0.361
SAD-SAT-f25ee457-7
0.361
CAS-DEP-e179b1f5-1
0.361
ANN-UNI-26382800-5
0.360
SAD-SAT-689b7d5a-8
0.359
SAN-PRS-52b81272-3
0.358
BAR-COM-5694a99d-2
0.358