Molecular Properties | |
SMILES: | N#Cc1cccc(C23CC(c4ccccc42)N(C(=O)CCl)C3)c1 |
MW: | 322.09 |
Fraction sp3: | 0.26 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 44.1 |
cLogP: | 3.37 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-ec98eaf6-39
0.684
MAK-UNK-ec98eaf6-42
0.684
MAK-UNK-3f402c2b-23
0.667
MAK-UNK-ec98eaf6-27
0.527
MAK-UNK-10799360-18
0.479
MAK-UNK-10799360-31
0.389
MAK-UNK-ec98eaf6-41
0.385
MAK-UNK-5d2caa6f-2
0.348
NIR-THE-c331be7a-2
0.344
MAK-UNK-ec98eaf6-51
0.324
MAK-UNK-10dfa458-40
0.322
DAR-DIA-3e9bbd81-7
0.320
MAT-POS-ee51dedd-1
0.318
DAR-DIA-3e9bbd81-11
0.309
MAK-UNK-ec98eaf6-26
0.308
PAU-WEI-b9b69149-4
0.307
MAK-UNK-10dfa458-41
0.298
MAK-UNK-10dfa458-42
0.297
TAT-ENA-80bfd3e5-10
0.295
SAD-SAT-c989feaa-2
0.294
MAK-UNK-ec98eaf6-53
0.294
PAU-WEI-b9b69149-6
0.286
MIC-UNK-df342a3f-1
0.286
DAR-DIA-3e9bbd81-13
0.286
MAK-UNK-ec98eaf6-52
0.283
MIC-UNK-df342a3f-2
0.280
MAK-UNK-ec98eaf6-21
0.269
DAR-DIA-3e9bbd81-16
0.269
PAU-WEI-b9b69149-5
0.266
MIC-UNK-e8a42ca9-2
0.266
MED-COV-4280ac29-12
0.264
DAR-DIA-3e9bbd81-6
0.261
MAK-UNK-ec98eaf6-4
0.260
MIC-UNK-e8a42ca9-1
0.259
PAT-UNK-b2d83456-1
0.258
DAR-DIA-3e9bbd81-2
0.257
DAN-MCD-02570321-1
0.257
WAR-XCH-bdd24732-19
0.255
MAK-UNK-6ca90168-14
0.253
DRR-IMP-38dce17f-7
0.253
MAK-UNK-10799360-5
0.250
AAR-UNI-c25c2f1e-56
0.250
MAK-UNK-6ca90168-6
0.250
DAR-DIA-fb20be43-3
0.250
NIM-UNI-310206f0-35
0.248
DAR-DIA-fb20be43-6
0.248
AAR-POS-0daf6b7e-14
0.247
MAK-UNK-6ca90168-9
0.244
MAR-TRE-6a44bbf2-86
0.244
LON-WEI-120e5cf5-15
0.244
DAR-DIA-3e9bbd81-8
0.243
MAK-UNK-bae89c02-1
0.243
MIH-UNI-e573136b-9
0.242
NIR-THE-c331be7a-4
0.242
NIR-THE-c331be7a-6
0.242
WAR-XCH-72a8c209-1
0.240
TAM-UNI-d1c3dd9f-18
0.240
MAK-UNK-3f402c2b-13
0.240
JOR-UNI-61e7b1d5-24
0.239
MAK-UNK-987948f6-3
0.239
STU-CHA-07310c75-1
0.238
NIM-UNI-310206f0-21
0.237
DAV-CRI-1c77f7a9-3
0.236
MAK-UNK-90d0606b-4
0.236
MAK-UNK-10799360-22
0.236
DAN-LON-a5fc619e-5
0.235
MAK-UNK-ec98eaf6-3
0.235
MAK-UNK-ec98eaf6-15
0.235
TAM-UNI-d1c3dd9f-10
0.234
MAK-UNK-10dfa458-39
0.234
MAK-UNK-ec98eaf6-37
0.234
DAV-CRI-f4772df7-3
0.233
NIR-THE-0d6461ce-7
0.233
MAR-TRE-6a44bbf2-7
0.232
AAR-POS-d2a4d1df-37
0.232
MAK-UNK-af83ef51-23
0.231
DAR-DIA-caba39e3-1
0.230
MIH-UNI-e573136b-11
0.230
NIR-THE-c331be7a-1
0.230
DAR-DIA-caba39e3-12
0.230
MED-COV-4280ac29-11
0.229
MED-COV-4280ac29-13
0.229
MAK-UNK-3f402c2b-3
0.229
MAK-UNK-5d2caa6f-20
0.229
PET-SGC-0f1d26ed-2
0.229
DRR-IMP-dff87f5e-9
0.228
MED-COV-4280ac29-34
0.228
DAV-CRI-8c8dd668-1
0.228
JOR-UNI-61e7b1d5-22
0.228
ASH-UNK-e28bb067-9
0.228
TAM-UNI-d1c3dd9f-17
0.228
THO-SYG-4e0386bb-1
0.228
NAU-LAT-64f4b287-4
0.228
DAV-CRI-f4772df7-1
0.228
ERI-UCB-a0b0dbcb-14
0.227
VIK-SYN-9a3d118a-8
0.227
FAB-NA_-a03f4448-1
0.226
FAB-UNK-7ad5ab26-1
0.226
FAB-UNK-03d90bbc-1
0.226
MAK-UNK-ec98eaf6-22
0.226