Molecular Properties | |
SMILES: | Cc1cccc(CN2C3CC([C@H]2CC(N)=O)N(C(=O)CCl)C3)c1 |
MW: | 335.14 |
Fraction sp3: | 0.53 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 66.64 |
cLogP: | 1.26 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-ec98eaf6-45
0.537
MAK-UNK-3f402c2b-3
0.506
STU-CHA-0be58c98-1
0.471
MAK-UNK-ec98eaf6-44
0.458
SAD-SAT-c989feaa-8
0.404
MAK-UNK-ec98eaf6-29
0.403
AAR-POS-d2a4d1df-24
0.397
MAK-UNK-10799360-5
0.391
DAN-LON-a5fc619e-8
0.369
MAK-UNK-af83ef51-8
0.365
MAK-UNK-ec98eaf6-32
0.364
MAK-UNK-af83ef51-5
0.364
MAK-UNK-ec98eaf6-1
0.362
MAK-UNK-af83ef51-9
0.352
MAK-UNK-af83ef51-7
0.348
MAK-UNK-ec98eaf6-9
0.344
SAD-SAT-c989feaa-5
0.337
MAK-UNK-ec98eaf6-50
0.330
MAK-UNK-3e0761f8-4
0.330
MAK-UNK-af83ef51-6
0.329
MAK-UNK-e4a48a85-10
0.327
MAK-UNK-ec98eaf6-18
0.323
MED-COV-4280ac29-13
0.318
NIR-THE-c331be7a-6
0.315
MAK-UNK-df1a028e-7
0.315
DAN-LON-a5fc619e-1
0.315
MAK-UNK-10799360-34
0.313
MAK-UNK-ec98eaf6-13
0.311
MAK-UNK-10799360-36
0.311
MAK-UNK-ec98eaf6-49
0.310
MAK-UNK-3f402c2b-7
0.310
MAK-UNK-3f402c2b-4
0.310
MAK-UNK-ec98eaf6-46
0.309
MAK-UNK-3f402c2b-12
0.308
MAK-UNK-df1a028e-4
0.308
AHN-SAT-721e3e40-1
0.305
DAN-LON-a5fc619e-5
0.305
MAK-UNK-3f402c2b-17
0.304
DAN-LON-a5fc619e-4
0.304
MAK-UNK-af83ef51-10
0.304
MAK-UNK-ec98eaf6-6
0.302
DAR-DIA-3e9bbd81-3
0.302
MAK-UNK-ec98eaf6-53
0.299
DAN-LON-a5fc619e-7
0.299
SAD-SAT-c989feaa-3
0.298
DAN-LON-a5fc619e-10
0.298
MAK-UNK-10799360-33
0.297
MAK-UNK-5d2caa6f-3
0.297
NIR-THE-0d6461ce-1
0.295
MAK-UNK-3f402c2b-5
0.295
MAK-UNK-10799360-19
0.295
MAK-UNK-bae89c02-4
0.295
MAK-UNK-ec98eaf6-4
0.293
MAK-UNK-3f402c2b-9
0.292
DAN-LON-a5fc619e-3
0.292
JOH-UNI-0e1753c1-5
0.292
MAK-UNK-df1a028e-8
0.291
MAK-UNK-af83ef51-11
0.291
MAK-UNK-3f402c2b-25
0.291
MAK-UNK-bae89c02-3
0.290
MAK-UNK-ec98eaf6-24
0.290
JOO-PER-74f994a9-1
0.289
SAD-SAT-5b1897b2-4
0.289
MAK-UNK-3e0761f8-5
0.289
MAK-UNK-df1a028e-9
0.287
MAK-UNK-3f402c2b-27
0.287
MAK-UNK-3f402c2b-14
0.287
DAR-DIA-3e9bbd81-1
0.286
MAK-UNK-ec98eaf6-42
0.286
MAK-UNK-ec98eaf6-43
0.286
MED-COV-4280ac29-2
0.286
SAD-SAT-c989feaa-1
0.286
MAK-UNK-10799360-17
0.284
SAD-SAT-c989feaa-9
0.284
SAD-SAT-581007d4-10
0.284
PEI-IMP-e4a008a2-1
0.284
MAK-UNK-3f402c2b-22
0.284
MAK-UNK-ec98eaf6-30
0.284
MAK-UNK-90d0606b-1
0.283
MAK-UNK-ec98eaf6-38
0.283
MAK-UNK-ec98eaf6-7
0.282
STU-CHA-07310c75-1
0.281
RAF-POL-b61b4b25-9
0.281
MAK-UNK-3f402c2b-26
0.281
MAK-UNK-10799360-32
0.281
MAK-UNK-ec98eaf6-51
0.280
MAK-UNK-3f402c2b-29
0.280
MAK-UNK-10799360-2
0.280
MAK-UNK-ec98eaf6-48
0.280
MAK-UNK-3f402c2b-2
0.280
MAK-UNK-5d2caa6f-12
0.280
MED-COV-4280ac29-7
0.280
MAK-UNK-ec98eaf6-3
0.278
SAD-SAT-c989feaa-7
0.278
MAK-UNK-10dfa458-12
0.278
JAG-UCB-ef2c0e8e-8
0.278
MAK-UNK-df1a028e-6
0.278
MAK-UNK-ec98eaf6-11
0.277
MAK-UNK-10799360-20
0.276
DAR-DIA-3e9bbd81-5
0.276