Molecular Properties | |
SMILES: | CC(=O)N1CCN(C(C(=O)Nc2cccc(N3CCCC3=O)c2)c2cccs2)CC1 |
MW: | 426.542 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 72.96 |
cLogP: | 2.7188 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
MAK-UNK-902cc841-4
0.695
MAK-UNK-6435e6c2-4
0.556
MAK-UNK-c8c8f7e2-15
0.527
MAK-UNK-7a704a63-8
0.527
MAK-UNK-c8c8f7e2-16
0.506
MAK-UNK-7a704a63-9
0.500
MAK-UNK-c8c8f7e2-17
0.487
MAK-UNK-10dfa458-3
0.481
MAK-UNK-10dfa458-22
0.481
AAR-POS-0daf6b7e-11
0.481
LON-WEI-8f408cad-1
0.481
MAK-UNK-7a704a63-10
0.481
MAK-UNK-902cc841-15
0.466
MAK-UNK-c8c8f7e2-18
0.463
DOU-UNK-b5326f8f-9
0.434
MAK-UNK-1e8f9e3c-4
0.421
MAK-UNK-9159f8ed-6
0.419
MAK-UNK-1e8f9e3c-1
0.419
MAK-UNK-1e8f9e3c-3
0.409
MAK-UNK-1e8f9e3c-5
0.409
MAK-UNK-1e8f9e3c-2
0.406
BAR-COM-0f94fc3d-53
0.398
MAK-UNK-c8c8f7e2-30
0.395
MAK-UNK-9159f8ed-2
0.394
MAK-UNK-9159f8ed-5
0.394
MAK-UNK-c8c8f7e2-4
0.390
MAK-UNK-c8c8f7e2-2
0.390
MAK-UNK-c8c8f7e2-3
0.390
MAK-UNK-7a704a63-11
0.390
MAK-UNK-c8c8f7e2-6
0.388
MAK-UNK-10dfa458-25
0.388
AAR-UNI-c25c2f1e-61
0.388
MAK-UNK-9159f8ed-1
0.382
MAK-UNK-9159f8ed-3
0.379
MAK-UNK-9159f8ed-4
0.379
MAK-UNK-c8c8f7e2-20
0.378
MAK-UNK-c8c8f7e2-1
0.378
MAK-UNK-902cc841-9
0.371
MAK-UNK-c8c8f7e2-5
0.368
MAK-UNK-902cc841-7
0.367
MAK-UNK-c8c8f7e2-7
0.364
MAK-UNK-7a704a63-18
0.357
MAK-UNK-c8c8f7e2-41
0.357
NAU-LAT-a5c7d7cb-6
0.357
MAK-UNK-c8c8f7e2-34
0.353
MAK-UNK-c8c8f7e2-8
0.352
MAK-UNK-10dfa458-32
0.352
BAR-COM-4e090d3a-60
0.351
MAK-UNK-c8c8f7e2-14
0.345
MAK-UNK-7a704a63-2
0.345
MAK-UNK-7a704a63-24
0.345
MAK-UNK-c8c8f7e2-11
0.341
MAK-UNK-7a704a63-6
0.341
MAK-UNK-7a704a63-3
0.341
MAK-UNK-c8c8f7e2-13
0.341
MAK-UNK-c8c8f7e2-43
0.341
MAK-UNK-902cc841-2
0.340
MAR-TRE-2fd8122f-39
0.340
MAK-UNK-902cc841-12
0.340
MAK-UNK-902cc841-5
0.340
MAK-UNK-7a704a63-7
0.337
MAK-UNK-c8c8f7e2-33
0.337
MAK-UNK-c8c8f7e2-12
0.337
MAK-UNK-c8c8f7e2-42
0.337
MAK-UNK-902cc841-16
0.337
MAK-UNK-c8c8f7e2-38
0.333
MAK-UNK-7a704a63-23
0.333
MAK-UNK-902cc841-11
0.333
MAR-TRE-799db12b-49
0.333
DOU-UNK-b5326f8f-7
0.331
MAK-UNK-c8c8f7e2-31
0.330
MAK-UNK-c8c8f7e2-10
0.329
MAK-UNK-7a704a63-17
0.329
MAK-UNK-7a704a63-20
0.329
MAK-UNK-c8c8f7e2-40
0.329
MAK-UNK-7a704a63-5
0.329
MAK-UNK-9159f8ed-7
0.327
MAK-UNK-c8c8f7e2-32
0.322
MAK-UNK-c8c8f7e2-37
0.318
MAK-UNK-7a704a63-21
0.318
MAK-UNK-1e8f9e3c-6
0.317
MAK-UNK-7a704a63-19
0.314
MAK-UNK-c8c8f7e2-36
0.314
MAR-TRE-799db12b-69
0.313
WIL-LEE-23e8b574-8
0.312
MAR-TRE-67513f76-4
0.308
BEN-VAN-5787f7d3-10
0.308
BEN-VAN-5787f7d3-1
0.305
MAK-UNK-10dfa458-23
0.302
BEN-VAN-5787f7d3-11
0.302
NAU-LAT-a5c7d7cb-3
0.301
VLA-UCB-05e51b3f-2
0.301
AAR-UNI-c25c2f1e-103
0.296
MAK-UNK-7a704a63-16
0.295
MAK-UNK-c8c8f7e2-9
0.295
MAK-UNK-c8c8f7e2-39
0.295
MAK-UNK-7a704a63-4
0.295
MAK-UNK-902cc841-1
0.294
MAR-TRE-a9136c7b-57
0.293
MIC-UNK-5a93dd5f-10
0.292