Molecular Properties | |
SMILES: | N#Cc1cccc(CC2CC3CCC(C2)N3C(=O)CCl)c1 |
MW: | 302.12 |
Fraction sp3: | 0.53 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 44.1 |
cLogP: | 3.11 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-af83ef51-8
0.636
MAK-UNK-10dfa458-40
0.603
MAK-UNK-10dfa458-42
0.532
MAK-UNK-10dfa458-11
0.416
MAT-POS-ee51dedd-1
0.413
SAD-SAT-c989feaa-2
0.386
MIH-UNI-6b9ca91a-5
0.351
WAR-XCH-bdd24732-19
0.347
MAK-UNK-af83ef51-6
0.346
TAT-ENA-80bfd3e5-10
0.345
MIC-UNK-2744a8e2-1
0.344
PAT-UNK-b2d83456-1
0.342
AAR-UNI-c25c2f1e-56
0.337
ANN-UNI-26382800-5
0.333
MAK-UNK-ec98eaf6-51
0.330
MAK-UNK-af83ef51-9
0.322
SAD-SAT-24589cd1-5
0.321
SAD-SAT-24589cd1-1
0.318
MAK-UNK-af83ef51-7
0.318
MAK-UNK-af83ef51-5
0.318
TRY-UNI-714a760b-20
0.318
ALE-SYG-bac15da4-1
0.316
PAU-WEI-b9b69149-4
0.312
DAR-DIA-3e9bbd81-7
0.312
SAD-SAT-24589cd1-8
0.310
MAK-UNK-ec98eaf6-53
0.310
NIR-THE-c331be7a-2
0.307
JOR-UNI-61e7b1d5-9
0.304
SAD-SAT-24589cd1-9
0.303
MIC-UNK-df342a3f-1
0.302
NIR-THE-0d6461ce-6
0.300
DAR-DIA-3e9bbd81-11
0.299
MAK-UNK-ec98eaf6-52
0.298
DAR-DIA-3e9bbd81-2
0.298
MAK-UNK-ec98eaf6-40
0.298
MIC-UNK-e8a42ca9-1
0.297
TRY-UNI-1fd04853-6
0.297
MAK-UNK-748f8b7a-6
0.296
TRY-UNI-714a760b-19
0.295
MIC-UNK-e8a42ca9-2
0.293
SAD-SAT-24589cd1-10
0.293
DAR-DIA-3e9bbd81-8
0.293
MAK-UNK-ec98eaf6-22
0.290
DAR-DIA-23aa0b97-4
0.289
DAR-DIA-23aa0b97-8
0.289
SAD-SAT-24589cd1-3
0.289
RAL-THA-2d450e86-12
0.289
PAU-WEI-b9b69149-6
0.289
JOR-UNI-61e7b1d5-20
0.289
TRY-UNI-9f475305-6
0.289
JOR-UNI-61e7b1d5-24
0.287
DRR-IMP-38dce17f-7
0.286
JOR-UNI-61e7b1d5-18
0.286
MAK-UNK-6ca90168-14
0.286
NIR-THE-0d6461ce-7
0.286
MAK-UNK-ec98eaf6-10
0.284
MAK-UNK-ec98eaf6-21
0.284
NIM-UNI-310206f0-35
0.283
SAD-SAT-24589cd1-6
0.283
MIC-UNK-df342a3f-2
0.283
JOR-UNI-61e7b1d5-12
0.283
DAN-MCD-02570321-1
0.282
NAM-UNK-f7c77a48-4
0.280
JOR-UNI-61e7b1d5-5
0.280
PAU-WEI-b9b69149-5
0.280
MAR-TRE-14ce9fd6-31
0.279
SEA-TRI-f93fcab4-1
0.278
JOR-UNI-61e7b1d5-26
0.277
DAR-DIA-3e9bbd81-13
0.276
DAR-DIA-23aa0b97-3
0.276
ERI-UCB-a0b0dbcb-14
0.276
JOR-UNI-61e7b1d5-16
0.275
JOR-UNI-61e7b1d5-22
0.275
DAN-LON-a5fc619e-8
0.274
MAK-UNK-10799360-22
0.274
SEA-TRI-ec70a9dd-1
0.274
MAK-UNK-849bee6c-9
0.272
MAK-UNK-ec98eaf6-37
0.271
MAK-UNK-3f402c2b-3
0.271
MAR-TRE-1c920f6f-31
0.271
MAK-UNK-ec98eaf6-15
0.269
JOR-UNI-61e7b1d5-10
0.269
JOR-UNI-61e7b1d5-2
0.268
ANN-UNI-26382800-4
0.268
WAR-XCH-eb7b662f-1
0.268
DAR-DIA-23aa0b97-5
0.268
MAK-UNK-10dfa458-10
0.268
VIK-SYN-9a3d118a-8
0.267
JOR-UNI-61e7b1d5-3
0.267
JOR-UNI-61e7b1d5-28
0.267
JOR-UNI-61e7b1d5-30
0.267
SAD-SAT-89668ff1-4
0.267
MAK-UNK-ec98eaf6-46
0.266
NIR-THE-0d6461ce-8
0.265
SWA-SYN-d2e6fa14-7
0.265
SWA-SYN-6423ea73-7
0.265
LOR-NOR-30067bb9-11
0.264
MAK-UNK-748f8b7a-9
0.264
JOR-UNI-61e7b1d5-7
0.263
MAK-UNK-212f693e-32
0.263