Molecular Properties | |
SMILES: | N#Cc1ccc(NC(=O)Nc2cccnc2)s1 |
MW: | 244.279 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 77.81 |
cLogP: | 2.65878 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
DAR-DIA-842b4336-3
0.625
DAR-DIA-842b4336-4
0.625
JOH-UNK-14e6adc5-2
0.542
ANN-UNI-26382800-3
0.542
CHR-SOS-363cfb78-1
0.516
DAR-DIA-842b4336-14
0.516
ANN-UNI-26382800-4
0.508
JOR-UNI-61e7b1d5-2
0.508
DAR-DIA-23aa0b97-5
0.508
WAR-XCH-eb7b662f-1
0.508
AAR-POS-d2a4d1df-11
0.500
DAR-DIA-842b4336-9
0.500
TRY-UNI-bbd40bb4-4
0.493
DAR-DIA-842b4336-6
0.492
DAR-DIA-842b4336-1
0.492
WAR-XCH-eb7b662f-2
0.485
ALE-HEI-f28a35b5-4
0.476
MAK-UNK-d1e89583-2
0.476
DAR-DIA-23aa0b97-15
0.475
TRY-UNI-bbd40bb4-3
0.461
MAK-UNK-d1e89583-7
0.460
WAR-XCH-eb7b662f-3
0.459
WIL-UNI-5578df48-15
0.456
DAR-DIA-842b4336-2
0.452
SAD-SAT-cefd50cc-1
0.448
DAR-DIA-842b4336-7
0.446
MAK-UNK-10dfa458-31
0.446
JAN-GHE-83b26c96-19
0.444
DAR-DIA-23aa0b97-14
0.444
WAR-XCH-eb7b662f-6
0.444
JOR-UNI-2fc98d0b-7
0.444
WAR-XCH-eb7b662f-7
0.444
WIL-UNI-5578df48-19
0.443
MAK-UNK-30aad1f1-14
0.440
MAK-UNK-30aad1f1-12
0.438
MAK-UNK-d1e89583-4
0.438
MAR-TRE-67513f76-81
0.436
MAK-UNK-10dfa458-24
0.434
JOR-UNI-61e7b1d5-1
0.432
MAK-UNK-d1e89583-1
0.429
ALE-HEI-f28a35b5-15
0.426
DAR-DIA-842b4336-8
0.424
WAR-XCH-eb7b662f-4
0.424
WIL-UNI-5578df48-21
0.424
WAR-XCH-eb7b662f-5
0.418
MAK-UNK-30aad1f1-8
0.416
TAM-UNI-c140e31a-19
0.414
CHR-SOS-363cfb78-3
0.410
MAK-UNK-30aad1f1-7
0.405
MAK-UNK-ca11b4f7-2
0.404
MAK-UNK-ca11b4f7-3
0.404
SAD-SAT-689b7d5a-3
0.400
HUB-UNK-9845d277-3
0.400
WIL-UNI-5578df48-22
0.400
WIL-UNI-5578df48-32
0.398
IAN-BAS-df1706d7-1
0.397
MAK-UNK-ca11b4f7-1
0.397
JOH-IMS-62aeb97d-5
0.397
WAR-XCH-6eb0722e-1
0.395
ALE-HEI-f28a35b5-8
0.394
CAS-DEP-e179b1f5-1
0.392
SAD-SAT-689b7d5a-8
0.392
SAD-SAT-f25ee457-8
0.392
WIL-UNI-5578df48-28
0.392
WIL-UNI-5578df48-31
0.390
JIA-UNI-12b1f9ae-1
0.389
CHR-SOS-363cfb78-4
0.388
BAR-COM-21d20d65-7
0.388
MAK-UNK-129dcd6f-3
0.387
MAK-UNK-d1e89583-5
0.386
MAK-UNK-d1e89583-6
0.386
MAK-UNK-30aad1f1-6
0.386
MAK-UNK-30aad1f1-1
0.386
DAR-DIA-842b4336-19
0.385
WIL-UNI-5578df48-14
0.384
FRA-FAC-9ed5a63a-3
0.382
MAK-UNK-10dfa458-16
0.382
WIL-UNI-5578df48-20
0.382
WIL-UNI-5578df48-2
0.381
MAK-UNK-d1e89583-3
0.380
HUB-UNK-9845d277-14
0.380
MAK-UNK-129dcd6f-5
0.377
WIL-UNI-5578df48-18
0.377
WAR-XCH-6eb0722e-3
0.376
DAR-DIA-23aa0b97-17
0.375
ANN-UNI-26382800-5
0.375
SAD-SAT-f25ee457-7
0.375
DAR-DIA-842b4336-15
0.375
MAK-UNK-d1e89583-9
0.375
STE-LAU-aafa5dff-1
0.372
ALE-MCD-4ac17b19-1
0.372
SAD-SAT-135344c3-6
0.372
BAR-COM-21d20d65-9
0.372
MAK-UNK-129dcd6f-2
0.372
BAR-COM-21d20d65-4
0.372
BAR-COM-21d20d65-8
0.372
CHR-SOS-363cfb78-5
0.371
MAR-TRE-2fd8122f-69
0.370
WIL-UNI-5578df48-26
0.368
SAD-SAT-689b7d5a-9
0.366