Molecular Properties | |
SMILES: | N#Cc1cncc(NC(=O)Cc2cncc3cnccc23)c1 |
MW: | 289.1 |
Fraction sp3: | 0.06 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 91.56 |
cLogP: | 2.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
BEN-DND-61647d40-6
0.704
BEN-DND-61647d40-15
0.560
DAR-DIA-23aa0b97-6
0.542
BEN-DND-61647d40-21
0.521
DAR-DIA-23aa0b97-2
0.512
DAR-DIA-23aa0b97-19
0.476
DAR-DIA-23aa0b97-7
0.474
CHR-SOS-363cfb78-1
0.427
ERI-UCB-ce40166b-12
0.417
CHR-SOS-363cfb78-2
0.412
BEN-DND-61647d40-10
0.412
BEN-DND-61647d40-1
0.402
BEN-DND-61647d40-3
0.398
ERI-UCB-ce40166b-9
0.394
DAR-DIA-23aa0b97-18
0.393
DAR-DIA-23aa0b97-9
0.387
BEN-DND-61647d40-4
0.385
DAR-DIA-23aa0b97-17
0.383
ERI-UCB-ce40166b-10
0.382
DAR-DIA-23aa0b97-20
0.380
BEN-DND-61647d40-2
0.378
BEN-DND-61647d40-9
0.376
PET-UNK-8922bd3c-1
0.372
BEN-DND-61647d40-16
0.372
DAR-DIA-23aa0b97-10
0.367
JAN-UNI-2e92c4b1-2
0.366
ERI-UCB-ce40166b-11
0.365
ERI-UCB-ce40166b-1
0.361
ERI-UCB-ce40166b-4
0.358
VLA-UNK-82501c2c-1
0.349
ERI-UCB-ce40166b-2
0.347
MAT-POS-bb423b95-1
0.345
DAR-DIA-23aa0b97-4
0.337
TRY-UNI-2eddb1ff-1
0.337
ERI-UCB-ce40166b-8
0.333
JAN-UNI-2e92c4b1-1
0.329
ERI-UCB-ce40166b-3
0.327
ANN-UNI-26382800-5
0.318
ERI-UCB-ce40166b-5
0.317
TRY-UNI-bbd40bb4-2
0.313
DAR-DIA-23aa0b97-1
0.312
ERI-UCB-ce40166b-6
0.308
DAR-DIA-23aa0b97-3
0.307
NAU-LAT-2fed8305-8
0.303
ANU-FNM-72f8c13c-1
0.302
MAT-POS-6344a35d-1
0.302
EDG-MED-0da5ad92-12
0.294
MAT-POS-c20a539d-5
0.292
PET-UNK-6314f867-2
0.292
DAR-DIA-23aa0b97-8
0.291
DAR-DIA-6a49afbe-7
0.290
SAD-SAT-24589cd1-1
0.290
MAK-UNK-6ca90168-25
0.290
ERI-UCB-ce40166b-7
0.290
TRY-UNI-1fd04853-1
0.287
MAK-UNK-30aad1f1-3
0.287
PET-SGC-175e168c-1
0.287
ANN-UNI-26382800-4
0.286
WAR-XCH-eb7b662f-1
0.286
JOR-UNI-61e7b1d5-2
0.286
DAR-DIA-23aa0b97-5
0.286
UNK-UNK-2ede4078-51
0.284
DAR-DIA-03336633-15
0.282
DAR-DIA-6a49afbe-2
0.281
JUL-TUD-06b2044f-51
0.281
BEN-DND-61647d40-7
0.281
DAR-DIA-842b4336-14
0.279
RAL-THA-2d450e86-17
0.278
MAT-POS-cc05818f-1
0.278
SAD-SAT-24589cd1-5
0.278
MAK-UNK-a7b37c5e-1
0.277
RAL-THA-2d450e86-12
0.277
DAR-DIA-6a49afbe-8
0.277
MAR-TRE-2fd8122f-57
0.276
BEN-DND-61647d40-8
0.276
EDJ-MED-49816e9b-1
0.276
DAR-DIA-6a49afbe-9
0.275
RAL-THA-2d450e86-5
0.275
TRY-UNI-714a760b-20
0.275
SAD-SAT-f25ee457-3
0.274
UNK-UNK-2ede4078-22
0.273
DAR-DIA-842b4336-15
0.273
DAR-DIA-6a49afbe-1
0.272
MAK-UNK-a7b37c5e-2
0.271
SAD-SAT-24589cd1-8
0.269
VLA-UNK-82501c2c-2
0.269
ANN-UNI-26382800-3
0.268
JOH-UNK-14e6adc5-2
0.268
MAK-UNK-c749d764-27
0.267
MAK-UNK-30aad1f1-6
0.267
MAK-UNK-6ca90168-23
0.267
JUL-TUD-06b2044f-46
0.267
MAK-UNK-c749d764-13
0.267
MAK-UNK-30aad1f1-16
0.266
MAT-POS-f7918075-5
0.266
RAL-THA-2d450e86-28
0.265
AAR-UNI-c25c2f1e-74
0.265
PET-UNK-dd44aeb6-3
0.265
THO-SYG-cc9e9a11-4
0.265
THO-SYG-cc9e9a11-8
0.265