Molecular Properties | |
SMILES: | CC(C)N1CCN(C(=O)CCl)[C@H](CC(=O)Nc2cccnc2)C1 |
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-2
0.615
THO-SYG-f9b2970d-5
0.551
THO-SYG-f9b2970d-3
0.524
THO-SYG-f9b2970d-6
0.467
MAR-TRE-9c797165-22
0.446
MAK-UNK-ca11b4f7-1
0.441
MAR-TRE-d0525fbf-64
0.430
MAK-UNK-5d2caa6f-1
0.424
JOH-IMS-62aeb97d-5
0.420
FRA-FAC-9ed5a63a-2
0.418
MED-UNK-e6e8ef8a-3
0.418
MED-UNK-e6e8ef8a-2
0.418
MAR-TRE-7f7bb9f0-72
0.418
MAR-TRE-67513f76-81
0.412
AAR-POS-d2a4d1df-13
0.410
ALE-HEI-f28a35b5-9
0.410
FRA-FAC-9ed5a63a-1
0.410
MAR-TRE-7f7bb9f0-53
0.409
MED-UNK-e6e8ef8a-4
0.407
MED-UNK-e6e8ef8a-5
0.405
MAR-TRE-9c797165-52
0.405
MAR-TRE-67513f76-73
0.398
LON-WEI-120e5cf5-11
0.398
MAK-UNK-a7b37c5e-4
0.390
MED-UNK-e6e8ef8a-6
0.388
ALE-HEI-f28a35b5-14
0.387
MAR-TRE-7f7bb9f0-74
0.378
MAR-TRE-b77b7921-53
0.378
KEI-TRE-d5e2018a-77
0.378
SAD-SAT-cefd50cc-7
0.374
EDG-MED-0da5ad92-2
0.370
DAR-DIA-842b4336-11
0.370
AUS-ARG-7cfdce8f-11
0.367
MAK-UNK-c749d764-23
0.364
MAR-TRE-9c797165-94
0.364
MAR-TRE-7f7bb9f0-49
0.361
MAK-UNK-c749d764-27
0.361
MAR-TRE-9c797165-57
0.359
MAK-UNK-c749d764-17
0.358
DAR-DIA-23aa0b97-16
0.358
MAK-UNK-a7b37c5e-1
0.358
MAR-TRE-2fd8122f-30
0.358
MAR-TRE-3e4e6814-6
0.355
THO-SYG-f9b2970d-4
0.355
MAK-UNK-d1e89583-1
0.354
MAR-TRE-67513f76-13
0.352
NAU-LAT-64f4b287-10
0.352
SAD-SAT-cefd50cc-6
0.351
SAD-SAT-135344c3-3
0.351
MAR-TRE-2fd8122f-9
0.351
MAR-TRE-7f7bb9f0-84
0.351
KEI-TRE-d5e2018a-6
0.351
DAR-DIA-842b4336-16
0.349
MAK-UNK-a7b37c5e-2
0.349
MAR-TRE-4b834d9a-74
0.349
MAR-TRE-74c6519b-54
0.348
MAR-TRE-67513f76-92
0.348
WIL-UNI-1faa9b10-8
0.348
BEN-DND-362d364a-10
0.347
SAN-PRS-52b81272-2
0.346
PAU-UNI-b33c5197-1
0.345
CHR-SOS-f7373dd1-5
0.345
MAR-TRE-7f7bb9f0-90
0.345
KEI-TRE-d5e2018a-67
0.344
MAK-UNK-b2c98f02-9
0.343
SAD-SAT-24589cd1-4
0.342
JOH-IMS-62aeb97d-3
0.341
MAR-TRE-67513f76-93
0.341
DAR-DIA-842b4336-14
0.341
MAK-UNK-c749d764-13
0.341
MAR-TRE-b77b7921-52
0.340
KEI-TRE-d5e2018a-76
0.340
KEI-TRE-d5e2018a-84
0.340
MAR-TRE-d0525fbf-84
0.340
MAR-TRE-d0525fbf-45
0.340
DAR-DIA-842b4336-12
0.337
DAR-DIA-842b4336-13
0.337
ALE-HEI-f28a35b5-5
0.337
MED-UNK-e6e8ef8a-1
0.337
CHR-SOS-f7373dd1-2
0.337
CHR-SOS-70e4c98a-6
0.337
PET-SGC-1fc12be1-1
0.337
MAR-TRE-67513f76-32
0.337
KEI-TRE-d5e2018a-99
0.337
MAR-TRE-9c797165-48
0.337
PET-SGC-d0156db4-2
0.337
MAR-TRE-2fd8122f-72
0.337
MAR-TRE-3e4e6814-59
0.337
MAR-TRE-b77b7921-80
0.337
MAR-TRE-3e4e6814-49
0.337
KEI-TRE-d5e2018a-89
0.337
MAR-TRE-7f7bb9f0-82
0.337
MAR-TRE-3e4e6814-100
0.337
SAD-SAT-135344c3-8
0.337
MAR-TRE-d0525fbf-97
0.337
MAR-TRE-9c797165-21
0.333
MAR-TRE-3e4e6814-62
0.333
CHR-SOS-f7373dd1-4
0.333
CHR-SOS-59746812-2
0.333
MAR-TRE-2fd8122f-45
0.333