Molecular Properties | |
SMILES: | CC(C)N1CCN(C(=O)CCl)C[C@@H]1CC(=O)Nc1cccnc1 |
MW: | 338.15 |
Fraction sp3: | 0.56 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 65.54 |
cLogP: | 1.57 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
THO-SYG-f9b2970d-1
0.615
THO-SYG-f9b2970d-6
0.547
THO-SYG-f9b2970d-4
0.512
THO-SYG-f9b2970d-5
0.495
MAK-UNK-ca11b4f7-1
0.455
LON-WEI-120e5cf5-11
0.443
MAR-TRE-9c797165-22
0.440
MAK-UNK-5d2caa6f-1
0.434
FRA-FAC-9ed5a63a-2
0.429
MED-UNK-e6e8ef8a-3
0.429
MED-UNK-e6e8ef8a-2
0.429
MAR-TRE-7f7bb9f0-72
0.427
AAR-POS-d2a4d1df-13
0.421
FRA-FAC-9ed5a63a-1
0.421
ALE-HEI-f28a35b5-9
0.421
MED-UNK-e6e8ef8a-4
0.418
MAR-TRE-7f7bb9f0-53
0.418
PAU-UNI-b33c5197-1
0.417
MED-UNK-e6e8ef8a-5
0.416
JOH-IMS-62aeb97d-5
0.412
SAD-SAT-cefd50cc-7
0.411
MAR-TRE-67513f76-73
0.407
MAR-TRE-d0525fbf-64
0.407
MAR-TRE-67513f76-81
0.403
MAR-TRE-9c797165-52
0.398
MED-UNK-e6e8ef8a-6
0.397
ALE-HEI-f28a35b5-16
0.395
MAR-TRE-d0525fbf-84
0.389
JOH-IMS-62aeb97d-3
0.385
DAR-DIA-23aa0b97-16
0.385
MAK-UNK-a7b37c5e-4
0.382
MAR-TRE-2fd8122f-30
0.380
EDG-MED-0da5ad92-2
0.380
DAR-DIA-842b4336-11
0.380
ALE-HEI-f28a35b5-14
0.378
JOH-IMS-62aeb97d-4
0.377
NAU-LAT-64f4b287-10
0.376
MAR-TRE-7f7bb9f0-58
0.372
SAD-SAT-135344c3-8
0.372
MAR-TRE-9c797165-94
0.372
MAR-TRE-74c6519b-54
0.372
KEI-TRE-d5e2018a-77
0.371
MAR-TRE-b77b7921-53
0.371
MAC-MCD-76766525-1
0.371
MAR-TRE-7f7bb9f0-74
0.370
MAR-TRE-7f7bb9f0-49
0.370
SAD-SAT-24589cd1-4
0.368
MAK-UNK-a7b37c5e-1
0.367
MAR-TRE-3e4e6814-47
0.363
DAR-DIA-842b4336-12
0.362
MAR-TRE-67513f76-13
0.360
MAR-TRE-3e4e6814-59
0.360
MAK-UNK-a7b37c5e-5
0.359
AUS-ARG-7cfdce8f-11
0.359
MAK-UNK-009ebe36-8
0.359
SAD-SAT-cefd50cc-6
0.359
DAR-DIA-842b4336-16
0.358
SAD-SAT-2fd372d1-7
0.358
MAK-UNK-ca11b4f7-3
0.357
CHR-SOS-59746812-2
0.357
MAR-TRE-3e4e6814-67
0.356
MAK-UNK-c749d764-23
0.356
MAR-TRE-4b834d9a-74
0.356
SAN-PRS-52b81272-2
0.355
BEN-DND-362d364a-10
0.354
CHR-SOS-f7373dd1-5
0.354
MAK-UNK-c749d764-27
0.354
CHR-SOS-59746812-6
0.353
CHA-MCP-85291e1d-1
0.352
MAR-TRE-b77b7921-74
0.352
MAR-TRE-9c797165-14
0.352
MAR-TRE-9c797165-57
0.352
MAK-UNK-c749d764-17
0.350
MAR-TRE-67513f76-93
0.349
MAR-TRE-7f7bb9f0-56
0.349
DAR-DIA-842b4336-14
0.349
SAD-SAT-c989feaa-4
0.349
MAR-TRE-2fd8122f-43
0.348
FOC-CAS-e3a94da8-1
0.347
MAR-TRE-d0525fbf-45
0.346
MAK-UNK-d1e89583-1
0.346
DAR-DIA-842b4336-13
0.346
ALE-HEI-f28a35b5-5
0.346
MED-UNK-e6e8ef8a-1
0.346
CHR-SOS-f7373dd1-2
0.345
MAR-TRE-d0525fbf-91
0.345
MAR-TRE-b77b7921-80
0.344
PET-SGC-d0156db4-2
0.344
MAR-TRE-7f7bb9f0-8
0.344
MAR-TRE-7f7bb9f0-82
0.344
MAR-TRE-7f7bb9f0-15
0.344
ALE-HEI-f28a35b5-15
0.342
DRR-IMP-38dce17f-4
0.342
MAK-UNK-a7b37c5e-2
0.341
DAR-DIA-23aa0b97-17
0.341
MAR-TRE-7f7bb9f0-46
0.341
CHR-SOS-f7373dd1-4
0.341
MAR-TRE-b77b7921-91
0.341
MAR-TRE-4b834d9a-31
0.341
MAR-TRE-04c86cea-81
0.341