Molecular Properties | |
SMILES: | N#Cc1cccc(NC(=O)Cc2cncc3ncccc23)c1 |
MW: | 288.31 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 78.67 |
cLogP: | 2.68268 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
DAR-DIA-23aa0b97-19
0.603
DAR-DIA-23aa0b97-1
0.556
DAR-DIA-23aa0b97-4
0.554
DAR-DIA-23aa0b97-3
0.506
WAR-XCH-eb7b662f-1
0.436
ANN-UNI-26382800-4
0.436
DAR-DIA-23aa0b97-5
0.436
JOR-UNI-61e7b1d5-2
0.436
MAK-UNK-6ca90168-25
0.425
DAR-DIA-23aa0b97-11
0.400
ANN-UNI-26382800-5
0.398
BEN-DND-61647d40-5
0.393
DAR-DIA-23aa0b97-2
0.391
BEN-DND-61647d40-6
0.389
ERI-UCB-ce40166b-1
0.388
PET-UNK-8922bd3c-1
0.386
ERI-UCB-ce40166b-12
0.386
DAR-DIA-23aa0b97-8
0.386
ERI-UCB-ce40166b-4
0.385
ERI-UCB-ce40166b-9
0.379
AAR-UNI-c25c2f1e-74
0.376
BEN-DND-61647d40-15
0.375
TRY-UNI-714a760b-23
0.375
TRY-UNI-714a760b-24
0.372
BEN-DND-61647d40-16
0.371
MAR-TRE-2fd8122f-57
0.369
MIC-UNK-08cd9c58-1
0.363
MAT-POS-f7918075-3
0.363
ERI-UCB-ce40166b-2
0.359
MIC-UNK-2744a8e2-2
0.358
DAR-DIA-23aa0b97-6
0.353
ERI-UCB-ce40166b-11
0.352
DAR-DIA-23aa0b97-17
0.349
DAR-DIA-03336633-4
0.346
DAR-DIA-23aa0b97-20
0.345
SID-ELM-2583a2cd-20
0.345
MIC-UNK-66895286-5
0.344
MIC-UNK-2744a8e2-11
0.343
MIC-UNK-2744a8e2-14
0.343
ERI-UCB-ce40166b-10
0.343
DAR-DIA-23aa0b97-12
0.341
MIC-UNK-2744a8e2-4
0.340
TRY-UNI-1fd04853-6
0.340
MIC-UNK-2744a8e2-13
0.340
MIC-UNK-1e397c67-1
0.340
ERI-UCB-ce40166b-3
0.340
MIC-UNK-2744a8e2-10
0.337
MIC-UNK-2744a8e2-12
0.337
ANN-UNI-26382800-6
0.333
KAL-WAB-eb347ebe-1
0.333
MIC-UNK-2744a8e2-8
0.330
SAD-SAT-24589cd1-8
0.326
RAL-MED-2de63afb-1
0.323
SID-ELM-2583a2cd-21
0.323
MAR-TRE-14ce9fd6-43
0.323
SAD-SAT-24589cd1-5
0.322
EDJ-MED-49816e9b-1
0.322
BEN-DND-61647d40-8
0.322
NIM-UNI-310206f0-21
0.321
SAD-SAT-24589cd1-1
0.319
RAL-THA-2d450e86-12
0.319
MAR-TRE-0fda4e82-47
0.319
TRY-UNI-714a760b-20
0.319
MAR-TRE-92684b97-89
0.319
MIC-UNK-2744a8e2-5
0.317
THO-SYG-cc9e9a11-8
0.317
MIC-UNK-2744a8e2-6
0.314
MIC-UNK-2744a8e2-3
0.314
MAR-TRE-3159af1a-85
0.314
TRY-UNI-bbd40bb4-2
0.314
AAR-UNI-c25c2f1e-102
0.313
SAD-SAT-f25ee457-3
0.311
THO-SYG-cc9e9a11-7
0.311
DAR-DIA-842b4336-14
0.310
MAK-UNK-c749d764-17
0.310
ANT-OPE-6e66bf84-1
0.309
MAR-TRE-14ce9fd6-37
0.309
TRY-UNI-9f475305-10
0.309
MIC-UNK-2744a8e2-9
0.308
MIC-UNK-2744a8e2-7
0.308
ERI-UCB-ce40166b-8
0.308
BEN-DND-61647d40-21
0.307
JOR-UNI-61e7b1d5-7
0.306
JOR-UNI-61e7b1d5-9
0.306
TRY-UNI-1fd04853-10
0.306
CHR-SOS-363cfb78-1
0.306
ERI-UCB-ce40166b-5
0.306
SAD-SAT-24589cd1-3
0.305
MAR-TRE-1c920f6f-44
0.305
DAR-DIA-842b4336-15
0.303
ANT-OPE-6e66bf84-2
0.303
MAK-UNK-a7b37c5e-2
0.302
MAR-TRE-3159af1a-47
0.301
ADA-UCB-b1b30a00-3
0.299
MAK-UNK-30aad1f1-8
0.299
DAR-DIA-03336633-15
0.299
SAD-SAT-24589cd1-6
0.298
MAK-UNK-748f8b7a-6
0.298
TRY-UNI-1fd04853-8
0.298
TRY-UNI-714a760b-19
0.298