Molecular Properties | |
SMILES: | N#Cc1ccc(CC(=O)Nc2cccnc2)s1 |
MW: | 243.291 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 65.78 |
cLogP: | 2.19598 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
DAR-DIA-842b4336-12
0.644
DAR-DIA-842b4336-13
0.644
MAK-UNK-a7b37c5e-4
0.525
DAR-DIA-842b4336-15
0.522
MAR-TRE-67513f76-81
0.519
DAR-DIA-842b4336-5
0.516
DAR-DIA-842b4336-16
0.508
ANN-UNI-26382800-5
0.500
DAR-DIA-23aa0b97-17
0.500
MAR-TRE-2fd8122f-94
0.494
ALE-HEI-f28a35b5-5
0.492
MAK-UNK-a7b37c5e-5
0.492
SAN-PRS-52b81272-2
0.492
DAR-DIA-842b4336-10
0.484
SAD-SAT-24589cd1-4
0.484
DAR-DIA-23aa0b97-16
0.477
JOH-IMS-62aeb97d-5
0.474
MAK-UNK-ca11b4f7-1
0.474
EDG-MED-0da5ad92-2
0.470
MAK-UNK-a7b37c5e-1
0.455
MAK-UNK-c749d764-17
0.455
CHA-MCP-85291e1d-2
0.451
DAR-DIA-842b4336-11
0.448
JOH-UNK-14e6adc5-2
0.446
ANN-UNI-26382800-3
0.446
MAK-UNK-a7b37c5e-2
0.441
WIL-UNI-5578df48-15
0.437
KAL-WAB-eb347ebe-1
0.437
MAK-UNK-c749d764-27
0.435
MAR-TRE-2fd8122f-46
0.432
ALE-HEI-f28a35b5-14
0.429
MAK-UNK-c749d764-13
0.425
MAR-TRE-2fd8122f-99
0.419
MAR-TRE-67513f76-13
0.419
DAR-DIA-842b4336-9
0.414
MAR-TRE-2fd8122f-37
0.413
MAR-TRE-9c797165-94
0.413
DAR-DIA-23aa0b97-15
0.409
DAR-DIA-842b4336-6
0.408
CHR-SOS-363cfb78-1
0.406
MED-UNK-e6e8ef8a-6
0.406
MAK-UNK-c749d764-14
0.405
CHA-MCP-85291e1d-5
0.405
AAR-POS-d2a4d1df-11
0.403
AUS-ARG-7cfdce8f-11
0.403
WAR-XCH-eb7b662f-2
0.403
MAR-TRE-2fd8122f-57
0.403
WAR-XCH-eb7b662f-1
0.400
JOR-UNI-61e7b1d5-2
0.400
ANN-UNI-26382800-4
0.400
MAR-TRE-74c6519b-55
0.400
DAR-DIA-23aa0b97-5
0.400
MAR-TRE-2fd8122f-68
0.397
MAK-UNK-c749d764-23
0.395
MAR-TRE-7f7bb9f0-74
0.394
MAR-TRE-7f7bb9f0-49
0.394
CHR-SOS-f7373dd1-5
0.394
MAR-TRE-2fd8122f-69
0.392
FRA-FAC-9ed5a63a-1
0.391
ALE-HEI-f28a35b5-9
0.391
AAR-POS-d2a4d1df-13
0.391
CHR-SOS-f7373dd1-6
0.390
CHA-MCP-85291e1d-1
0.390
MED-UNK-e6e8ef8a-4
0.389
SAD-SAT-f25ee457-3
0.389
MAK-UNK-d1e89583-1
0.388
MAR-TRE-9c797165-14
0.388
MAR-TRE-67513f76-87
0.387
DAR-DIA-842b4336-7
0.386
MED-UNK-e6e8ef8a-5
0.386
MAR-TRE-04c86cea-41
0.386
MAR-TRE-3e4e6814-79
0.386
DAR-DIA-23aa0b97-4
0.384
MAR-TRE-2fd8122f-78
0.384
DAR-DIA-23aa0b97-6
0.384
MAK-UNK-ca11b4f7-2
0.383
MAK-UNK-ca11b4f7-3
0.383
MAR-TRE-f6f5f473-95
0.383
DAR-DIA-842b4336-4
0.382
DAR-DIA-842b4336-3
0.382
MAR-TRE-67513f76-69
0.381
MAR-TRE-2fd8122f-23
0.381
FRA-FAC-9ed5a63a-2
0.380
MED-UNK-e6e8ef8a-3
0.380
MED-UNK-e6e8ef8a-2
0.380
TRY-UNI-bbd40bb4-4
0.380
DAR-DIA-842b4336-1
0.379
CHR-SOS-f7373dd1-4
0.378
MAR-TRE-67513f76-73
0.378
SAD-SAT-cefd50cc-6
0.378
MAR-TRE-67513f76-22
0.378
CHA-MCP-85291e1d-4
0.377
MAR-TRE-4b834d9a-59
0.373
WAR-XCH-eb7b662f-3
0.373
ALE-HEI-f28a35b5-4
0.371
CHR-SOS-59746812-3
0.370
MAR-TRE-7f7bb9f0-56
0.370
MAR-TRE-67513f76-93
0.370
MAR-TRE-2fd8122f-66
0.368
MAR-TRE-2fd8122f-26
0.368