Molecular Properties | |
SMILES: | NC[C@H]1CC[C@@H](C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)O1 |
MW: | 354.17 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 106.34 |
cLogP: | 1.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-7f7bb9f0-97
0.575
MAR-TRE-9c797165-48
0.568
MAR-TRE-4b834d9a-92
0.545
MAR-TRE-4b834d9a-57
0.541
MAR-TRE-4b834d9a-71
0.538
MAR-TRE-04c86cea-90
0.512
MAR-TRE-f6f5f473-58
0.500
MAR-TRE-4b834d9a-24
0.489
KEI-TRE-d5e2018a-36
0.444
MAR-TRE-f6f5f473-75
0.444
MAR-TRE-f6f5f473-79
0.440
MAR-TRE-04c86cea-65
0.421
MAR-TRE-f6f5f473-77
0.418
WIL-UNI-5578df48-17
0.416
KEI-TRE-d5e2018a-32
0.416
MAR-TRE-3e4e6814-34
0.416
MAR-TRE-f6f5f473-36
0.404
KEI-TRE-d5e2018a-91
0.389
KEI-TRE-d5e2018a-100
0.389
MAR-TRE-3e4e6814-45
0.383
MAR-TRE-2fd8122f-58
0.382
KEI-TRE-d5e2018a-71
0.381
CHR-SOS-7098f804-12
0.378
KEI-TRE-d5e2018a-82
0.367
MAR-TRE-2fd8122f-22
0.365
MAR-TRE-2fd8122f-82
0.362
KEI-TRE-d5e2018a-90
0.357
MAR-TRE-9c797165-86
0.356
MAR-TRE-67513f76-37
0.354
ANT-DIA-3c79be55-4
0.352
ANT-DIA-3c79be55-5
0.352
MAR-TRE-b77b7921-70
0.351
KEI-TRE-d5e2018a-56
0.350
MAR-TRE-2fd8122f-34
0.347
MAR-TRE-2fd8122f-24
0.347
MAR-TRE-2fd8122f-61
0.346
SAD-SAT-135344c3-2
0.344
MAR-TRE-2fd8122f-65
0.344
MAR-TRE-74c6519b-81
0.344
MAR-TRE-9c797165-88
0.341
KEI-TRE-d5e2018a-22
0.340
FRA-FAC-9ed5a63a-4
0.337
KEI-TRE-d5e2018a-58
0.337
MAR-TRE-4b834d9a-43
0.337
KEI-TRE-d5e2018a-86
0.337
KEI-TRE-d5e2018a-83
0.333
JAN-GHE-4287bd1a-9
0.333
LON-WEI-120e5cf5-11
0.333
MAK-UNK-10dfa458-31
0.333
MAR-TRE-67513f76-83
0.333
MAR-TRE-7f7bb9f0-81
0.330
CHR-SOS-7098f804-18
0.330
ALE-HEI-f28a35b5-8
0.329
KEI-TRE-d5e2018a-70
0.327
MAK-UNK-129dcd6f-12
0.326
MAK-UNK-c749d764-13
0.326
MAR-TRE-9c797165-80
0.326
SAD-SAT-689b7d5a-9
0.326
ALE-HEI-f28a35b5-9
0.326
FRA-FAC-9ed5a63a-1
0.326
AAR-POS-d2a4d1df-13
0.326
MAR-TRE-2fd8122f-41
0.324
MAR-TRE-2fd8122f-12
0.324
MAR-TRE-7f7bb9f0-82
0.323
MAR-TRE-b77b7921-71
0.323
MAR-TRE-b77b7921-80
0.323
MAR-TRE-3e4e6814-59
0.323
MAR-TRE-74c6519b-91
0.323
MED-UNK-e6e8ef8a-7
0.322
MAR-TRE-2fd8122f-27
0.321
MAR-TRE-67513f76-84
0.320
MAR-TRE-2fd8122f-36
0.320
MAR-TRE-7f7bb9f0-64
0.320
MAR-TRE-3e4e6814-62
0.319
WIL-UNI-5578df48-15
0.319
MED-UNK-e6e8ef8a-2
0.318
MED-UNK-e6e8ef8a-3
0.318
FRA-FAC-9ed5a63a-2
0.318
ALE-HEI-f28a35b5-15
0.317
MAR-TRE-67513f76-81
0.316
CHR-SOS-7098f804-19
0.314
WIL-UNI-5578df48-14
0.312
MAR-TRE-d0525fbf-90
0.312
JOH-IMS-62aeb97d-3
0.310
MAK-UNK-c749d764-17
0.310
JOH-UNI-abdb2f0c-1
0.310
MAR-TRE-2fd8122f-31
0.310
MAR-TRE-74c6519b-17
0.309
MAR-TRE-b77b7921-97
0.309
MAR-TRE-f6f5f473-29
0.309
KEI-TRE-d5e2018a-28
0.309
MAR-TRE-2fd8122f-72
0.309
MAR-TRE-7f7bb9f0-68
0.309
MAR-TRE-2fd8122f-60
0.309
MAK-UNK-ca11b4f7-1
0.308
JOH-IMS-62aeb97d-5
0.308
FRA-FAC-9ed5a63a-3
0.307
MED-UNK-e6e8ef8a-1
0.307
MED-UNK-e6e8ef8a-5
0.307
MAK-UNK-d1e89583-1
0.306