Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1C(c1cccc(Cl)c1)N1CC2CC1CN2C(=O)CCl |
MW: | 443.13 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 72.26 |
cLogP: | 3.65 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MED-COV-4280ac29-34
0.615
MAK-UNK-10799360-36
0.588
DAR-DIA-3e9bbd81-3
0.543
MAK-UNK-ec98eaf6-6
0.543
MAK-UNK-ec98eaf6-1
0.543
DAR-DIA-3e9bbd81-7
0.485
MAK-UNK-ec98eaf6-22
0.480
DAR-DIA-3e9bbd81-6
0.476
AHN-SAT-721e3e40-1
0.454
MAK-UNK-ec98eaf6-9
0.434
MAK-UNK-ec98eaf6-50
0.429
PAU-WEI-f734c343-3
0.426
MAK-UNK-ec98eaf6-49
0.423
DAR-DIA-3e9bbd81-14
0.422
MAK-UNK-df1a028e-9
0.418
MAK-UNK-ec98eaf6-21
0.413
DAR-DIA-3e9bbd81-5
0.411
MAK-UNK-ec98eaf6-53
0.405
MAK-UNK-ec98eaf6-51
0.400
MAK-UNK-ec98eaf6-3
0.396
MAK-UNK-ec98eaf6-23
0.387
MAK-UNK-ec98eaf6-37
0.387
DAR-DIA-3e9bbd81-13
0.383
MAK-UNK-ec98eaf6-52
0.379
MAK-UNK-ec98eaf6-8
0.378
MAK-UNK-5d2caa6f-3
0.378
MAK-UNK-3e0761f8-4
0.377
DAN-LON-a5fc619e-8
0.375
MAK-UNK-ec98eaf6-10
0.374
MAK-UNK-90d0606b-3
0.373
MAK-UNK-3e0761f8-9
0.365
MAK-UNK-df1a028e-4
0.360
MAK-UNK-ec98eaf6-4
0.360
MAK-UNK-ec98eaf6-16
0.355
NIR-THE-0d6461ce-6
0.352
MAK-UNK-10799360-22
0.352
MAK-UNK-ec98eaf6-13
0.350
MAK-UNK-5d2caa6f-4
0.350
DAR-DIA-3e9bbd81-2
0.349
MAK-UNK-5d2caa6f-5
0.343
DAR-DIA-3e9bbd81-8
0.342
MED-COV-4280ac29-6
0.340
NIR-THE-0d6461ce-7
0.340
MED-COV-4280ac29-7
0.333
MAK-UNK-5d2caa6f-24
0.333
MAK-UNK-ec98eaf6-25
0.331
DAR-DIA-3e9bbd81-9
0.330
GIA-UNK-c4371e97-3
0.327
PAU-UNI-52c0427f-1
0.327
BRU-LEF-ae0885ba-1
0.327
DAR-DIA-fb20be43-4
0.327
MAK-UNK-3f402c2b-13
0.324
BEN-DND-362d364a-3
0.323
MAK-UNK-ec98eaf6-17
0.321
DAR-DIA-3e9bbd81-12
0.317
GIA-UNK-7337c2f3-2
0.317
MAK-UNK-3f402c2b-3
0.317
MAK-UNK-ec98eaf6-44
0.314
MED-COV-4280ac29-18
0.314
MAK-UNK-ec98eaf6-45
0.312
MAK-UNK-ec98eaf6-54
0.310
MAK-UNK-10799360-26
0.309
MAK-UNK-ec98eaf6-55
0.308
MAK-UNK-df1a028e-6
0.307
MAK-UNK-5d2caa6f-6
0.306
MAK-UNK-df1a028e-8
0.306
SEA-TRI-2c7f3de8-1
0.306
MAK-UNK-3f402c2b-17
0.305
MAK-UNK-5d2caa6f-23
0.303
MAK-UNK-3f402c2b-27
0.303
JAN-GHE-fd8d85a5-5
0.302
MAK-UNK-90d0606b-4
0.302
DAR-DIA-3e9bbd81-1
0.300
SEA-TRI-8222e606-1
0.299
SAD-SAT-581007d4-10
0.299
MAK-UNK-3f402c2b-29
0.299
MAK-UNK-10799360-12
0.298
PAU-WEI-3e86dfd8-2
0.296
MAK-UNK-ec98eaf6-56
0.296
DAR-DIA-3e9bbd81-4
0.296
MAK-UNK-3f402c2b-12
0.295
MAK-UNK-10799360-32
0.294
MAK-UNK-3f402c2b-25
0.293
DAN-LON-a5fc619e-4
0.292
MED-COV-4280ac29-13
0.291
MAK-UNK-10799360-6
0.291
MAK-UNK-10799360-20
0.291
MAK-UNK-ec98eaf6-2
0.289
JAN-GHE-fd8d85a5-1
0.288
AAR-POS-0daf6b7e-10
0.287
NAM-UNK-f7c77a48-4
0.287
MAK-UNK-3f402c2b-22
0.287
MAK-UNK-ec98eaf6-14
0.287
MAK-UNK-10799360-17
0.287
MAK-UNK-10799360-8
0.286
DAR-DIA-3e9bbd81-10
0.284
MAK-UNK-10799360-21
0.284
MAK-UNK-ec98eaf6-7
0.284
GAB-REV-df64cf17-10
0.284
MAK-UNK-ec98eaf6-18
0.284