Molecular Properties | |
SMILES: | Cc1nnc(NC(=O)Nc2cccnc2)s1 |
MW: | 235.272 |
Fraction sp3: | 0.11 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 79.8 |
cLogP: | 1.88552 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-312-036 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-04-17 |
DAR-DIA-842b4336-3
0.552
ALE-HEI-f28a35b5-2
0.525
AAR-POS-d2a4d1df-11
0.509
DAR-DIA-842b4336-1
0.500
DAR-DIA-842b4336-4
0.500
WAR-XCH-eb7b662f-6
0.500
ALE-HEI-f28a35b5-5
0.500
DAR-DIA-842b4336-2
0.483
DAR-DIA-842b4336-5
0.476
DAR-DIA-842b4336-7
0.476
ANN-UNI-26382800-3
0.475
JOH-UNK-14e6adc5-2
0.475
WAR-XCH-eb7b662f-5
0.469
MAK-UNK-d1e89583-7
0.468
WAR-XCH-eb7b662f-3
0.467
MAK-UNK-d1e89583-2
0.460
MAK-UNK-d1e89583-1
0.459
DAR-DIA-23aa0b97-15
0.459
CHR-SOS-363cfb78-1
0.453
WIL-UNI-5578df48-21
0.453
JOR-UNI-2fc98d0b-7
0.452
JAN-GHE-83b26c96-19
0.452
DAR-DIA-23aa0b97-14
0.452
WAR-XCH-eb7b662f-7
0.452
WAR-XCH-eb7b662f-2
0.448
SAD-SAT-689b7d5a-3
0.448
ANN-UNI-26382800-4
0.446
DAR-DIA-23aa0b97-5
0.446
WAR-XCH-eb7b662f-1
0.446
JOR-UNI-61e7b1d5-2
0.446
MAK-UNK-d1e89583-4
0.444
IAN-BAS-df1706d7-1
0.443
WIL-UNI-5578df48-15
0.441
MAK-UNK-ca11b4f7-3
0.436
ALE-HEI-f28a35b5-15
0.433
WAR-XCH-eb7b662f-4
0.431
FRA-FAC-9ed5a63a-3
0.431
DAR-DIA-842b4336-8
0.431
JOH-IMS-62aeb97d-5
0.429
WIL-UNI-5578df48-14
0.429
WIL-UNI-5578df48-22
0.426
MAK-UNK-129dcd6f-12
0.425
MAR-TRE-67513f76-81
0.418
DAR-DIA-842b4336-9
0.418
WIL-UNI-5578df48-28
0.417
ASH-UNK-40b46b30-1
0.416
BAR-COM-21d20d65-8
0.413
BAR-COM-21d20d65-9
0.413
MAK-UNK-129dcd6f-9
0.413
STE-LAU-aafa5dff-1
0.413
DAR-DIA-842b4336-6
0.412
SAD-SAT-689b7d5a-9
0.412
SAD-SAT-cefd50cc-1
0.412
MAK-UNK-ca11b4f7-2
0.411
DAR-DIA-842b4336-12
0.409
WIL-UNI-5578df48-19
0.408
FRA-FAC-9ed5a63a-4
0.406
MAK-UNK-ca11b4f7-1
0.404
MAK-UNK-129dcd6f-4
0.403
ALE-HEI-f28a35b5-8
0.400
TRY-UNI-bbd40bb4-4
0.400
JOR-UNI-61e7b1d5-1
0.400
TAM-UNI-c140e31a-19
0.400
SAD-SAT-f25ee457-7
0.397
SAD-SAT-689b7d5a-8
0.397
SAD-SAT-f25ee457-8
0.397
ALE-MCD-4ac17b19-1
0.395
JIA-UNI-12b1f9ae-1
0.394
CHR-SOS-f7373dd1-6
0.392
MAK-UNK-129dcd6f-3
0.392
MAK-UNK-d1e89583-5
0.391
BAR-COM-21d20d65-5
0.390
WIL-UNI-5578df48-2
0.387
SAD-SAT-689b7d5a-5
0.387
MAK-UNK-30aad1f1-12
0.387
MAK-UNK-d1e89583-3
0.386
WIL-UNI-5578df48-32
0.386
CHR-SOS-f7373dd1-3
0.382
BAR-COM-5694a99d-4
0.382
WIL-UNI-5578df48-18
0.382
MAK-UNK-129dcd6f-5
0.382
SAN-PRS-52b81272-2
0.381
MAK-UNK-d1e89583-9
0.380
BAR-COM-21d20d65-2
0.380
CAS-DEP-e179b1f5-1
0.380
WIL-UNI-5578df48-31
0.378
MAR-TRE-7f7bb9f0-49
0.377
BAR-COM-5694a99d-2
0.377
BAR-COM-5694a99d-3
0.377
MAK-UNK-129dcd6f-2
0.377
MAK-UNK-10dfa458-31
0.377
SAD-SAT-689b7d5a-4
0.375
WAR-XCH-6eb0722e-5
0.375
WIL-UNI-5578df48-27
0.375
MAK-UNK-30aad1f1-7
0.375
TRY-UNI-bbd40bb4-3
0.375
SAD-SAT-689b7d5a-1
0.373
WIL-UNI-5578df48-26
0.373
MAR-TRE-2fd8122f-67
0.373
CHR-SOS-59746812-3
0.372