Molecular Properties | |
SMILES: | NCCc1nc(CC(=O)Nc2cccnc2)cs1 |
MW: | 262.09 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 80.9 |
cLogP: | 1.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-67513f76-22
0.532
MAR-TRE-67513f76-69
0.512
MAR-TRE-4b834d9a-59
0.506
MAR-TRE-2fd8122f-53
0.500
MAR-TRE-2fd8122f-23
0.494
MAR-TRE-2fd8122f-26
0.476
MAR-TRE-2fd8122f-66
0.476
DAR-DIA-842b4336-10
0.471
MAK-UNK-a7b37c5e-4
0.463
ALE-HEI-f28a35b5-5
0.457
SAN-PRS-52b81272-2
0.455
MAR-TRE-67513f76-81
0.450
SAD-SAT-24589cd1-4
0.448
DAR-DIA-842b4336-11
0.437
DAR-DIA-842b4336-13
0.437
DAR-DIA-842b4336-12
0.437
MAK-UNK-ca11b4f7-1
0.435
JOH-IMS-62aeb97d-5
0.435
MAK-UNK-a7b37c5e-5
0.435
MAK-UNK-c749d764-27
0.425
DAR-DIA-23aa0b97-16
0.423
MAK-UNK-a7b37c5e-1
0.423
MAK-UNK-c749d764-17
0.423
DAR-DIA-842b4336-14
0.419
EDG-MED-0da5ad92-2
0.417
DAR-DIA-842b4336-16
0.411
MAK-UNK-a7b37c5e-2
0.411
MAR-TRE-67513f76-13
0.410
MAR-TRE-7f7bb9f0-49
0.405
MAR-TRE-2fd8122f-37
0.405
CHA-MCP-85291e1d-2
0.403
MAR-TRE-67513f76-93
0.400
MAK-UNK-c749d764-13
0.397
MAK-UNK-c749d764-14
0.397
CHA-MCP-85291e1d-5
0.397
ALE-HEI-f28a35b5-14
0.397
MAR-TRE-3e4e6814-79
0.395
DAR-DIA-842b4336-15
0.390
DAR-DIA-23aa0b97-17
0.390
ANN-UNI-26382800-5
0.390
KAL-WAB-eb347ebe-1
0.390
MAR-TRE-9c797165-94
0.388
MAR-TRE-7f7bb9f0-74
0.387
AAR-POS-d2a4d1df-13
0.384
FRA-FAC-9ed5a63a-1
0.384
ALE-HEI-f28a35b5-9
0.384
CHA-MCP-85291e1d-1
0.383
MAR-TRE-9c797165-14
0.381
MAR-TRE-74c6519b-58
0.378
MAR-TRE-2fd8122f-78
0.377
MAR-TRE-f6f5f473-95
0.376
AUS-ARG-7cfdce8f-11
0.375
MAR-TRE-74c6519b-55
0.375
AAR-POS-d2a4d1df-11
0.373
DAR-DIA-842b4336-1
0.371
MAK-UNK-c749d764-23
0.370
DAR-DIA-03336633-15
0.368
MAR-TRE-7f7bb9f0-90
0.367
MAR-TRE-2fd8122f-32
0.365
MAK-UNK-d1e89583-5
0.364
MED-UNK-e6e8ef8a-4
0.364
MAR-TRE-7f7bb9f0-56
0.364
MAR-TRE-2fd8122f-94
0.364
MAR-TRE-2fd8122f-39
0.360
MAR-TRE-2fd8122f-47
0.360
MED-UNK-e6e8ef8a-5
0.360
MED-UNK-e6e8ef8a-6
0.360
MAR-TRE-2fd8122f-46
0.360
MAR-TRE-67513f76-68
0.358
NAU-LAT-64f4b287-10
0.358
FRA-FAC-9ed5a63a-2
0.355
MED-UNK-e6e8ef8a-2
0.355
MED-UNK-e6e8ef8a-3
0.355
MAK-UNK-d1e89583-9
0.354
MAR-TRE-7f7bb9f0-46
0.354
MAR-TRE-67513f76-73
0.354
WIL-UNI-5578df48-15
0.354
MAR-TRE-74c6519b-47
0.354
MAK-UNK-ca11b4f7-2
0.354
MAK-UNK-ca11b4f7-3
0.354
CHA-MCP-85291e1d-4
0.354
MAR-TRE-3e4e6814-62
0.354
MAR-TRE-74c6519b-54
0.354
MAR-TRE-04c86cea-81
0.354
MAR-TRE-4b834d9a-31
0.354
MAR-TRE-67513f76-55
0.353
MAR-TRE-67513f76-92
0.353
KEI-TRE-d5e2018a-51
0.352
MAK-UNK-d1e89583-7
0.351
CHR-SOS-f7373dd1-5
0.351
MAR-TRE-3e4e6814-50
0.350
MAR-TRE-7f7bb9f0-81
0.349
MAR-TRE-9c797165-57
0.349
MAR-TRE-b77b7921-78
0.348
MAR-TRE-74c6519b-19
0.347
ALE-HEI-f28a35b5-4
0.347
MAK-UNK-d1e89583-2
0.347
MAR-TRE-9c797165-52
0.346
MAR-TRE-7f7bb9f0-97
0.345
CHR-SOS-b301fc01-5
0.345