Molecular Properties | |
SMILES: | CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3cccnc3)CC2=O)cc1 |
MW: | 338.14 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 2.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
KEI-TRE-d5e2018a-15
1.000
KEI-TRE-d5e2018a-97
0.703
MAR-TRE-2fd8122f-42
0.649
MAR-TRE-7f7bb9f0-27
0.593
KEI-TRE-d5e2018a-30
0.593
MAR-TRE-2fd8122f-92
0.593
KEI-TRE-d5e2018a-94
0.588
KEI-TRE-d5e2018a-49
0.542
MAR-TRE-2fd8122f-27
0.471
MAR-TRE-2fd8122f-64
0.465
MAR-TRE-2fd8122f-74
0.441
MAR-TRE-7f7bb9f0-21
0.440
LON-WEI-120e5cf5-11
0.418
MAR-TRE-d0525fbf-90
0.407
MAR-TRE-2fd8122f-18
0.402
MAR-TRE-7f7bb9f0-13
0.402
MAR-TRE-74c6519b-51
0.400
MAR-TRE-9c797165-77
0.397
MAR-TRE-9c797165-80
0.392
MAR-TRE-2fd8122f-48
0.391
MAK-UNK-ca11b4f7-3
0.388
MAR-TRE-2fd8122f-50
0.386
MAR-TRE-2fd8122f-13
0.384
MAR-TRE-7f7bb9f0-86
0.383
MAR-TRE-04c86cea-17
0.382
MAR-TRE-2fd8122f-87
0.379
MAR-TRE-2fd8122f-19
0.378
MAR-TRE-2fd8122f-29
0.378
MAR-TRE-f6f5f473-23
0.378
MAR-TRE-2fd8122f-81
0.375
MAR-TRE-04c86cea-46
0.375
MAR-TRE-f6f5f473-84
0.373
MAR-TRE-2fd8122f-8
0.366
MAR-TRE-04c86cea-35
0.363
SAD-SAT-135344c3-5
0.363
MAR-TRE-2fd8122f-6
0.359
MAR-TRE-3e4e6814-54
0.359
MAR-TRE-04c86cea-49
0.359
MAR-TRE-2fd8122f-79
0.358
KEI-TRE-d5e2018a-73
0.351
MAR-TRE-67513f76-20
0.349
MAK-UNK-ca11b4f7-2
0.348
KEI-TRE-d5e2018a-38
0.347
MAR-TRE-2fd8122f-75
0.347
MAR-TRE-d0525fbf-54
0.347
MAR-TRE-74c6519b-66
0.347
MAK-UNK-5d2caa6f-1
0.345
MAR-TRE-2fd8122f-10
0.344
MAR-TRE-4b834d9a-42
0.344
MAR-TRE-2fd8122f-33
0.343
JOH-IMS-62aeb97d-5
0.343
JOH-IMS-62aeb97d-3
0.342
MAR-TRE-2fd8122f-59
0.340
DAR-DIA-842b4336-2
0.338
MED-UNK-e6e8ef8a-7
0.338
MED-UNK-e6e8ef8a-1
0.338
MED-UNK-e6e8ef8a-5
0.338
JAG-UCB-a3ef7265-7
0.337
ALE-HEI-f28a35b5-16
0.333
MAR-TRE-9c797165-46
0.333
MAR-TRE-67513f76-81
0.333
MAR-TRE-4b834d9a-31
0.333
ALE-MCD-4ac17b19-1
0.333
MAR-TRE-7f7bb9f0-67
0.333
MAR-TRE-2fd8122f-16
0.330
AAR-POS-d2a4d1df-11
0.329
ZAC-WAB-d55a3c2e-2
0.326
ZAC-WAB-3baddbb3-1
0.326
WIL-UNI-5578df48-17
0.326
MAK-UNK-10dfa458-16
0.326
MAR-TRE-f6f5f473-78
0.325
JOH-IMS-62aeb97d-1
0.325
MAR-TRE-2fd8122f-67
0.325
MAK-UNK-c8c8f7e2-43
0.325
MAK-UNK-ca11b4f7-1
0.324
MAR-TRE-9c797165-24
0.323
MAR-TRE-2fd8122f-72
0.322
FRA-FAC-9ed5a63a-4
0.321
DAR-DIA-842b4336-11
0.321
BEN-DND-362d364a-10
0.320
MAR-TRE-2fd8122f-77
0.319
MAR-TRE-9c797165-21
0.319
MAR-TRE-3e4e6814-93
0.318
MED-UNK-e6e8ef8a-3
0.317
SAD-SAT-2fd372d1-7
0.317
ANN-UNI-26382800-3
0.316
JOH-IMS-62aeb97d-4
0.316
JOH-UNK-14e6adc5-2
0.316
DAR-DIA-842b4336-3
0.316
ALE-HEI-f28a35b5-14
0.316
BAR-COM-5694a99d-1
0.315
BEN-DND-031a96cc-3
0.315
MAR-TRE-f6f5f473-6
0.315
MAK-UNK-129dcd6f-3
0.315
CHA-MCP-85291e1d-1
0.315
MAR-TRE-7f7bb9f0-90
0.314
MAR-TRE-7f7bb9f0-74
0.313
ALE-HEI-f28a35b5-8
0.312
MAR-TRE-d0525fbf-14
0.312
KEI-TRE-d5e2018a-79
0.312