Molecular Properties | |
SMILES: | N#Cc1cncc(NC(=O)Cc2cccnc2)c1 |
MW: | 238.25 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 78.67 |
cLogP: | 1.52948 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-047-479-846 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-05-26 |
DAR-DIA-23aa0b97-4
0.619
DAR-DIA-23aa0b97-7
0.609
BEN-DND-61647d40-21
0.594
DAR-DIA-23aa0b97-17
0.585
CHR-SOS-363cfb78-1
0.581
DAR-DIA-23aa0b97-2
0.554
BEN-DND-61647d40-10
0.552
BEN-DND-61647d40-5
0.542
BEN-DND-61647d40-6
0.534
BEN-DND-61647d40-8
0.522
BEN-DND-61647d40-7
0.522
BEN-DND-61647d40-9
0.500
JAN-UNI-2e92c4b1-2
0.493
ANN-UNI-26382800-5
0.493
ANT-DIA-3c79be55-2
0.478
BEN-DND-61647d40-4
0.463
JAN-UNI-2e92c4b1-1
0.449
BEN-DND-61647d40-1
0.449
CHR-SOS-363cfb78-2
0.444
BEN-DND-61647d40-3
0.443
DAR-DIA-23aa0b97-9
0.439
BEN-DND-61647d40-2
0.438
RAL-MED-2de63afb-1
0.429
DAR-DIA-23aa0b97-16
0.426
DAR-DIA-23aa0b97-10
0.425
ANT-OPE-6e66bf84-1
0.425
SAN-PRS-52b81272-2
0.415
ANT-OPE-6e66bf84-2
0.415
SAD-SAT-24589cd1-4
0.409
BEN-DND-61647d40-18
0.403
EDG-MED-0da5ad92-2
0.400
BEN-DND-61647d40-17
0.397
DAR-DIA-23aa0b97-3
0.395
TRY-UNI-2eddb1ff-1
0.395
NAU-LAT-64f4b287-9
0.388
DAR-DIA-842b4336-14
0.384
MAR-TRE-67513f76-81
0.383
MAK-UNK-a7b37c5e-4
0.382
CHA-MCP-85291e1d-5
0.382
MAR-TRE-d0525fbf-91
0.378
JOH-UNK-14e6adc5-2
0.377
ANN-UNI-26382800-3
0.377
MAK-UNK-a7b37c5e-5
0.377
DAR-DIA-23aa0b97-5
0.375
ANN-UNI-26382800-4
0.375
WAR-XCH-eb7b662f-1
0.375
JOR-UNI-61e7b1d5-2
0.375
DAR-DIA-842b4336-15
0.373
DAR-DIA-842b4336-10
0.371
CHA-MCP-85291e1d-2
0.368
MAK-UNK-30aad1f1-3
0.366
EDG-MED-0da5ad92-12
0.365
DAR-DIA-842b4336-11
0.361
ALE-HEI-f28a35b5-5
0.361
WAR-XCH-eb7b662f-2
0.360
MAR-TRE-2fd8122f-57
0.360
SAD-SAT-24589cd1-5
0.359
MAK-UNK-a7b37c5e-2
0.356
SAD-SAT-24589cd1-1
0.354
MAK-UNK-30aad1f1-7
0.353
DAR-DIA-23aa0b97-18
0.353
MAK-UNK-30aad1f1-6
0.352
MAR-TRE-2fd8122f-69
0.351
GAB-REV-70cc3ca5-13
0.351
CHA-MCP-85291e1d-1
0.350
MAK-UNK-ca11b4f7-1
0.349
JOH-IMS-62aeb97d-5
0.349
MAK-UNK-c749d764-17
0.347
MAK-UNK-a7b37c5e-1
0.347
SAD-SAT-24589cd1-8
0.346
MAK-UNK-ca11b4f7-4
0.345
MAR-TRE-2fd8122f-46
0.345
DAR-DIA-23aa0b97-15
0.343
DAR-DIA-842b4336-12
0.342
DAR-DIA-842b4336-13
0.342
MAK-UNK-30aad1f1-16
0.341
JOR-UNI-61e7b1d5-1
0.341
CHR-SOS-59746812-2
0.338
TRY-UNI-714a760b-20
0.338
MAK-UNK-30aad1f1-1
0.337
ERI-UCB-ce40166b-12
0.337
CHR-SOS-f7373dd1-5
0.333
MAR-TRE-04c86cea-97
0.333
CHR-SOS-59746812-6
0.333
MAK-UNK-c749d764-27
0.333
TRY-UNI-bbd40bb4-1
0.329
MAR-TRE-2fd8122f-39
0.329
TRY-UNI-714a760b-19
0.329
MAK-UNK-30aad1f1-12
0.329
MAK-UNK-6ca90168-23
0.329
MAK-UNK-c749d764-14
0.329
SAD-SAT-f25ee457-3
0.326
SAD-SAT-cefd50cc-6
0.326
ALP-POS-95b75b4d-9
0.325
DAR-DIA-23aa0b97-8
0.325
STE-UNK-dfade101-1
0.324
MAR-TRE-0fda4e82-32
0.324
JOR-UNI-61e7b1d5-3
0.323
JOR-UNI-61e7b1d5-9
0.322
JOR-UNI-61e7b1d5-7
0.322