Molecular Properties | |
SMILES: | N#Cc1cccc(C(CCc2ccc(C(F)(F)F)cc2)N2CC3CC2CN3C(=O)CCl)c1 |
MW: | 461.15 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 47.34 |
cLogP: | 4.77 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
high halogen content (>3)
MED-COV-4280ac29-15
MAK-UNK-ec98eaf6-53
0.791
MAK-UNK-ec98eaf6-51
0.767
PAU-WEI-b9b69149-5
0.606
MAK-UNK-ec98eaf6-50
0.574
MAK-UNK-ec98eaf6-49
0.553
DAR-DIA-3e9bbd81-7
0.510
AHN-SAT-721e3e40-1
0.479
MAK-UNK-ec98eaf6-56
0.479
PAU-WEI-b9b69149-6
0.465
DAR-DIA-3e9bbd81-13
0.454
MAK-UNK-3e0761f8-4
0.440
PAU-WEI-b9b69149-2
0.436
PAU-WEI-b9b69149-4
0.436
MAK-UNK-90d0606b-3
0.408
MAK-UNK-10799360-36
0.400
MAK-UNK-5d2caa6f-3
0.400
DAR-DIA-3e9bbd81-6
0.391
MAK-UNK-df1a028e-4
0.381
MAK-UNK-df1a028e-9
0.380
MAK-UNK-ec98eaf6-15
0.379
MAK-UNK-ec98eaf6-1
0.375
DAR-DIA-3e9bbd81-3
0.373
MAK-UNK-ec98eaf6-6
0.373
MAK-UNK-ec98eaf6-9
0.373
MAK-UNK-ec98eaf6-55
0.366
MAK-UNK-5d2caa6f-4
0.356
MAK-UNK-5d2caa6f-5
0.350
MAK-UNK-ec98eaf6-54
0.347
MAK-UNK-3e0761f8-9
0.346
MAK-UNK-ec98eaf6-13
0.343
DAR-DIA-3e9bbd81-5
0.342
DAR-DIA-3e9bbd81-14
0.342
MAK-UNK-5d2caa6f-24
0.339
MAK-UNK-10799360-22
0.333
MAK-UNK-3f402c2b-3
0.323
MAK-UNK-ec98eaf6-21
0.318
DAR-DIA-3e9bbd81-2
0.318
PAU-WEI-b9b69149-3
0.315
DAN-LON-a5fc619e-8
0.313
DAR-DIA-3e9bbd81-8
0.313
MAK-UNK-10799360-5
0.312
DAR-DIA-3e9bbd81-11
0.308
PAU-WEI-b9b69149-9
0.307
MAK-UNK-90d0606b-4
0.307
MAK-UNK-10dfa458-40
0.307
SAD-SAT-581007d4-9
0.307
MAK-UNK-3f402c2b-13
0.305
MAK-UNK-3f402c2b-2
0.301
MAK-UNK-ec98eaf6-4
0.301
MAK-UNK-ec98eaf6-3
0.299
MAK-UNK-df1a028e-8
0.299
MAK-UNK-3f402c2b-25
0.299
MAK-UNK-10dfa458-41
0.298
MAK-UNK-ec98eaf6-8
0.296
MAK-UNK-ec98eaf6-10
0.295
MAK-UNK-3f402c2b-22
0.293
SAD-SAT-581007d4-10
0.292
MAK-UNK-3f402c2b-26
0.290
MAK-UNK-bae89c02-4
0.290
MAK-UNK-3f402c2b-7
0.289
MAK-UNK-ec98eaf6-22
0.288
MAK-UNK-5d2caa6f-7
0.288
MAK-UNK-ec98eaf6-16
0.288
MAK-UNK-3f402c2b-9
0.287
MAK-UNK-df1a028e-6
0.287
PAU-WEI-b9b69149-1
0.287
MAK-UNK-10dfa458-42
0.286
MAK-UNK-10799360-35
0.284
MAK-UNK-3f402c2b-1
0.284
SAD-SAT-c989feaa-2
0.283
MAK-UNK-ec98eaf6-40
0.283
MAK-UNK-ec98eaf6-44
0.283
MAK-UNK-3f402c2b-14
0.283
MAK-UNK-3f402c2b-27
0.283
MAK-UNK-ec98eaf6-25
0.282
DAR-DIA-3e9bbd81-9
0.280
MIC-UNK-df342a3f-1
0.276
MAK-UNK-3f402c2b-4
0.276
MAK-UNK-3f402c2b-17
0.274
MAK-UNK-10799360-26
0.272
FAR-UNI-736b943a-9
0.272
DAR-DIA-3e9bbd81-16
0.271
MAK-UNK-10799360-17
0.270
GIA-UNK-7337c2f3-12
0.269
MAK-UNK-ec98eaf6-14
0.269
MAK-UNK-90d0606b-1
0.268
PEI-IMP-e4a008a2-1
0.267
MAK-UNK-3f402c2b-11
0.267
MAK-UNK-ec98eaf6-18
0.266
NIR-THE-c331be7a-2
0.266
MAK-UNK-10799360-3
0.265
MAT-POS-ee51dedd-1
0.265
MAK-UNK-3f402c2b-5
0.265
MAK-UNK-3f402c2b-16
0.265
MAK-UNK-10799360-29
0.264
MAK-UNK-3f402c2b-12
0.264
MAK-UNK-bae89c02-3
0.263
MAK-UNK-ec98eaf6-19
0.263
MAK-UNK-3f402c2b-29
0.261
MIC-UNK-df342a3f-2
0.261