Molecular Properties | |
SMILES: | N#Cc1ccc(-c2ccccn2)c(CC(=O)Nc2cnccc2CO)c1 |
MW: | 344.13 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 98.9 |
cLogP: | 2.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
THO-SYG-cc9e9a11-4
0.725
THO-SYG-cc9e9a11-6
0.654
THO-SYG-cc9e9a11-7
0.591
THO-SYG-cc9e9a11-5
0.471
THO-SYG-cc9e9a11-2
0.449
THO-SYG-cc9e9a11-3
0.418
SAD-SAT-24589cd1-8
0.396
CHA-KIN-ceadbd93-5
0.393
MAK-UNK-748f8b7a-6
0.373
MAK-UNK-30aad1f1-4
0.360
CHA-KIN-ceadbd93-1
0.360
SAD-SAT-24589cd1-6
0.359
CHA-KIN-ceadbd93-2
0.352
BEN-DND-61647d40-7
0.352
BEN-DND-61647d40-8
0.348
PET-SGC-175e168c-1
0.340
TRY-UNI-1fd04853-1
0.340
SAD-SAT-24589cd1-5
0.333
CHA-KIN-ceadbd93-4
0.333
SAD-SAT-24589cd1-1
0.330
TRY-UNI-714a760b-20
0.330
TRY-UNI-9f475305-1
0.327
MAK-UNK-748f8b7a-9
0.322
PET-SGC-276eba5a-1
0.321
DAR-DIA-23aa0b97-4
0.319
DAR-DIA-23aa0b97-18
0.317
SAD-SAT-24589cd1-3
0.316
RAL-THA-2d450e86-5
0.316
RAL-THA-2d450e86-34
0.312
MAK-UNK-f203cb68-4
0.311
JAG-UCB-a3ef7265-23
0.309
THO-SYG-cc9e9a11-1
0.306
TRY-UNI-2eddb1ff-1
0.305
TRY-UNI-9f475305-9
0.305
MAK-UNK-30aad1f1-6
0.305
CHA-KIN-ceadbd93-3
0.304
RAL-THA-2d450e86-12
0.303
ANT-DIA-3c79be55-2
0.300
RAL-THA-2d450e86-40
0.299
RAL-THA-2d450e86-21
0.297
DAR-DIA-23aa0b97-1
0.297
DAR-DIA-03336633-4
0.296
MAK-UNK-6ca90168-23
0.295
MAK-UNK-30aad1f1-15
0.294
JAG-UCB-a3ef7265-3
0.294
ANT-DIA-3c79be55-1
0.293
TRY-UNI-1fd04853-2
0.293
MAK-UNK-30aad1f1-1
0.292
ALP-POS-95b75b4d-9
0.292
PET-UNK-dd44aeb6-3
0.291
DAR-DIA-23aa0b97-2
0.291
RAL-THA-2d450e86-17
0.291
RAL-THA-2d450e86-28
0.291
MAT-POS-cc05818f-1
0.291
SAD-SAT-24589cd1-9
0.291
DAR-DIA-23aa0b97-6
0.290
VLA-UNK-9a7dc93f-2
0.288
ANN-UNI-26382800-5
0.287
DAR-DIA-23aa0b97-19
0.287
GAB-REV-70cc3ca5-19
0.287
SAD-SAT-f25ee457-3
0.286
DAR-DIA-03336633-7
0.284
JOH-IMS-d6628593-3
0.284
LON-WEI-0a73fcb8-7
0.283
TRY-UNI-714a760b-19
0.283
ASH-SAT-43770c7d-9
0.282
SAD-SAT-24589cd1-10
0.282
TRY-UNI-714a760b-24
0.281
DAR-DIA-03336633-9
0.280
ANT-DIA-3c79be55-3
0.280
JOR-UNI-61e7b1d5-1
0.280
RAL-THA-2d450e86-24
0.280
PET-UNK-dd44aeb6-2
0.280
JOH-UNI-abfda500-6
0.280
ANN-UNI-98d2bf15-1
0.280
MAK-UNK-919546f0-4
0.280
MAK-UNK-6ca90168-29
0.279
MAK-UNK-30aad1f1-7
0.279
MAT-POS-590ac91e-6
0.278
SID-ELM-433ea7f3-3
0.277
SAD-SAT-cefd50cc-10
0.277
EDJ-MED-e58735b6-2
0.277
MAK-UNK-30aad1f1-3
0.275
MAK-UNK-30aad1f1-14
0.275
DAR-DIA-23aa0b97-17
0.274
WIL-UNI-5578df48-11
0.274
MAR-TRE-7f7bb9f0-91
0.274
BEN-DND-93268d01-4
0.274
ERI-UCB-ce40166b-12
0.272
TRY-UNI-1fd04853-6
0.272
CHA-KIN-ceadbd93-6
0.272
MAK-UNK-30aad1f1-8
0.272
DAR-DIA-23aa0b97-5
0.272
JOR-UNI-61e7b1d5-2
0.272
ROM-UNK-ef52a3c9-1
0.272
ANN-UNI-26382800-4
0.272
WAR-XCH-eb7b662f-1
0.272
VLA-UNK-b9c208fe-1
0.271
RAL-THA-2d450e86-38
0.271
ALP-POS-0c2c77e1-1
0.270