Molecular Properties | |
SMILES: | NC(=O)C1C2CC(CN2C(=O)CCl)N1Cc1cccc(Cl)c1 |
MW: | 341.07 |
Fraction sp3: | 0.47 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 66.64 |
cLogP: | 1.22 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-ec98eaf6-45
0.608
DAN-LON-a5fc619e-8
0.521
DAN-LON-a5fc619e-1
0.486
MAK-UNK-10799360-3
0.458
MED-COV-4280ac29-13
0.434
SAD-SAT-c989feaa-5
0.432
DAN-LON-a5fc619e-4
0.430
MAK-UNK-10799360-36
0.423
SAD-SAT-c989feaa-3
0.420
MAK-UNK-ec98eaf6-46
0.412
DAN-LON-a5fc619e-5
0.410
AHN-SAT-721e3e40-1
0.410
JOH-UNI-0e1753c1-5
0.410
DAN-LON-a5fc619e-3
0.410
MAK-UNK-ec98eaf6-49
0.409
AAR-POS-d2a4d1df-35
0.403
HYO-UNK-49a60884-1
0.403
MED-COV-4280ac29-15
0.403
JOH-UNI-0e1753c1-3
0.403
DAN-LON-a5fc619e-10
0.402
MAK-UNK-ec98eaf6-18
0.398
MAK-UNK-10799360-33
0.393
DAN-LON-a5fc619e-2
0.392
MAK-UNK-ec98eaf6-6
0.388
DAR-DIA-3e9bbd81-3
0.388
DAN-LON-a5fc619e-6
0.388
DAN-LON-a5fc619e-9
0.388
MAK-UNK-ec98eaf6-13
0.388
MAK-UNK-ec98eaf6-50
0.385
MED-COV-4280ac29-2
0.384
DAN-LON-a5fc619e-7
0.384
MAK-UNK-ec98eaf6-4
0.383
MAK-UNK-3f402c2b-3
0.380
MAK-UNK-ec98eaf6-3
0.376
MAK-UNK-ec98eaf6-1
0.375
SAD-SAT-c989feaa-7
0.360
NAM-UNK-f7c77a48-4
0.359
AVI-UNI-70b60925-1
0.355
MAK-UNK-df1a028e-8
0.351
JOH-UNI-0e1753c1-2
0.347
JOH-IMS-1436231f-2
0.346
SAD-SAT-c989feaa-6
0.345
JOH-UNI-0e1753c1-4
0.341
MAK-UNK-6ca90168-13
0.338
JOH-UNI-23d9e1b1-1
0.338
JOH-UNI-0e1753c1-1
0.338
DAR-DIA-3e9bbd81-14
0.337
MAK-UNK-df1a028e-6
0.333
MAK-UNK-10799360-5
0.330
DAR-DIA-3e9bbd81-1
0.322
SAD-SAT-581007d4-10
0.322
MAK-UNK-3f402c2b-7
0.321
AAR-POS-0daf6b7e-29
0.319
JOH-IMS-1436231f-6
0.319
AVI-UNI-c9bf710f-1
0.319
MAK-UNK-df1a028e-4
0.318
PAU-WEI-b9b69149-1
0.315
MAK-UNK-ec98eaf6-15
0.314
MED-COV-4280ac29-38
0.314
MAK-UNK-ec98eaf6-51
0.313
MAK-UNK-df1a028e-9
0.312
STU-CHA-0be58c98-1
0.311
GIA-UNK-c4371e97-3
0.310
MAK-UNK-df1a028e-7
0.310
DAR-DIA-3e9bbd81-5
0.309
VLA-UNK-411a133b-1
0.309
MAK-UNK-3f402c2b-10
0.309
MED-COV-4280ac29-6
0.308
MAK-UNK-ec98eaf6-14
0.307
MAK-UNK-5d2caa6f-3
0.306
MIC-UNK-13557a72-1
0.305
MAT-POS-7174c657-2
0.303
MAK-UNK-10799360-19
0.303
SAD-SAT-65574d3f-9
0.303
DAR-DIA-3e9bbd81-10
0.302
DAR-DIA-3e9bbd81-4
0.302
SAD-SAT-7d5528d9-35
0.302
SAD-SAT-7d5528d9-21
0.301
ASH-SAT-43770c7d-3
0.301
MAK-UNK-5d2caa6f-6
0.301
MAK-UNK-5d2caa6f-5
0.300
MAK-UNK-10799360-32
0.299
MAK-UNK-ec98eaf6-32
0.299
MAK-UNK-bae89c02-3
0.298
SAD-SAT-c989feaa-8
0.297
MAK-UNK-ec98eaf6-9
0.297
MAK-UNK-ec98eaf6-29
0.295
MAK-UNK-ec98eaf6-53
0.294
SAD-SAT-c989feaa-1
0.293
DAV-CRI-3edb475e-4
0.293
AAR-POS-0daf6b7e-10
0.293
MAK-UNK-3f402c2b-22
0.293
MAK-UNK-3f402c2b-15
0.293
MAK-UNK-10799360-17
0.292
SAD-SAT-c989feaa-9
0.292
NAM-UNK-f7c77a48-3
0.291
NAU-LAT-e1818702-1
0.291
JAN-GHE-f4ca5a00-12
0.291
MAK-UNK-ec98eaf6-38
0.291
MAK-UNK-ec98eaf6-17
0.290