Molecular Properties | |
SMILES: | O=C(CCl)N1C2CC([C@@H]1Cc1ccccc1)N(Cc1cccc(Cl)c1)C2 |
MW: | 388.11 |
Fraction sp3: | 0.38 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 23.55 |
cLogP: | 3.98 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-10799360-33
0.806
DAN-LON-a5fc619e-8
0.481
DAN-LON-a5fc619e-10
0.476
DAN-LON-a5fc619e-1
0.432
DAN-LON-a5fc619e-3
0.414
MAK-UNK-ec98eaf6-44
0.412
DAN-LON-a5fc619e-6
0.409
SAD-SAT-c989feaa-3
0.407
SAD-SAT-c989feaa-5
0.402
DAN-LON-a5fc619e-9
0.393
MAK-UNK-ec98eaf6-45
0.389
MED-COV-4280ac29-2
0.389
DAN-LON-a5fc619e-7
0.389
MED-COV-4280ac29-13
0.386
DAN-LON-a5fc619e-5
0.382
AAR-POS-d2a4d1df-35
0.372
MED-COV-4280ac29-15
0.372
SAD-SAT-c989feaa-6
0.367
MAK-UNK-3f402c2b-3
0.353
DAN-LON-a5fc619e-4
0.352
SAD-SAT-c989feaa-7
0.352
DAN-LON-a5fc619e-2
0.349
MAK-UNK-ec98eaf6-49
0.340
NAM-UNK-f7c77a48-3
0.333
JOH-UNI-23d9e1b1-1
0.329
PAU-WEI-b9b69149-1
0.323
DAR-DIA-3e9bbd81-3
0.319
GIA-UNK-c4371e97-3
0.319
NAM-UNK-f7c77a48-4
0.318
SAD-SAT-c989feaa-4
0.315
MAK-UNK-6ca90168-13
0.313
MAK-UNK-df1a028e-8
0.310
MAK-UNK-10799360-3
0.309
AVI-UNI-70b60925-1
0.307
GIA-UNK-7337c2f3-2
0.307
DAR-DIA-3e9bbd81-12
0.307
SAD-SAT-c989feaa-8
0.305
DAR-DIA-3e9bbd81-1
0.302
MAK-UNK-10799360-36
0.300
SAD-SAT-c989feaa-9
0.300
MAK-UNK-ec98eaf6-18
0.298
MAK-UNK-ec98eaf6-7
0.297
JAN-GHE-f4ca5a00-16
0.297
SEA-TRI-146a67b6-1
0.296
ASH-SAT-43770c7d-3
0.295
MAK-UNK-df1a028e-6
0.295
AAR-POS-0daf6b7e-29
0.295
AHN-SAT-721e3e40-1
0.295
MAK-UNK-10799360-32
0.295
STU-CHA-0be58c98-1
0.292
MAK-UNK-ec98eaf6-6
0.292
NAU-LAT-a5c7d7cb-13
0.290
ALP-POS-90e38439-1
0.290
VLA-UCB-1dbca3b4-1
0.290
MAK-UNK-ec98eaf6-2
0.290
DAV-CRI-1c77f7a9-4
0.290
SAD-SAT-c989feaa-1
0.289
AVI-UNI-c9bf710f-1
0.287
MED-COV-4280ac29-6
0.286
MAK-UNK-ec98eaf6-13
0.286
SAD-SAT-7d5528d9-35
0.284
SEA-TRI-9e600f3c-1
0.283
MAK-UNK-ec98eaf6-4
0.283
SAD-SAT-7d5528d9-21
0.281
MAK-UNK-ec98eaf6-11
0.280
MAK-UNK-7c9d1431-24
0.278
MAK-UNK-af83ef51-8
0.278
SAD-SAT-c989feaa-2
0.277
SAD-SAT-7d5528d9-6
0.277
SAD-SAT-b55127ae-1
0.276
MAK-UNK-10799360-14
0.276
MED-COV-4280ac29-18
0.275
SAD-SAT-7d5528d9-7
0.275
SAD-SAT-581007d4-10
0.274
NAU-LAT-e1818702-9
0.274
MAK-UNK-ec98eaf6-14
0.274
MAK-UNK-10799360-19
0.274
ERI-UCB-ce40166b-24
0.272
MAK-UNK-7c9d1431-23
0.271
MAR-TRE-6a44bbf2-28
0.271
AAR-POS-d2a4d1df-24
0.271
MAK-UNK-ec98eaf6-1
0.270
MIC-UNK-13557a72-1
0.270
MAK-UNK-ec98eaf6-50
0.269
MAK-UNK-df1a028e-4
0.269
MIC-UNK-b12b7f76-2
0.269
PET-UNK-8df914d1-5
0.269
JAN-GHE-5a013bed-2
0.269
DAR-DIA-3e9bbd81-14
0.269
MAK-UNK-ec98eaf6-3
0.268
MAK-UNK-10dfa458-41
0.266
JAN-GHE-f4ca5a00-17
0.266
MED-COV-4280ac29-38
0.266
JAN-GHE-f4ca5a00-14
0.266
SAD-SAT-7d5528d9-11
0.265
SAD-SAT-65574d3f-9
0.265
JAN-GHE-5a013bed-5
0.265
BEN-DND-76ad4ac9-9
0.264
DAR-DIA-43a5904b-7
0.263
ALP-POS-91609ae9-2
0.263