Molecular Properties | |
SMILES: | CC(=O)Nc1cncc(N2CCCC2=O)c1 |
MW: | 219.1 |
Fraction sp3: | 0.36 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 62.3 |
cLogP: | 1.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-c8c8f7e2-11
1.000
MAK-UNK-6435e6c2-4
0.525
MAK-UNK-7a704a63-20
0.517
MAK-UNK-c8c8f7e2-40
0.492
MAK-UNK-7a704a63-17
0.492
MAK-UNK-7a704a63-23
0.469
MAK-UNK-7a704a63-8
0.444
MAK-UNK-c8c8f7e2-15
0.444
MAK-UNK-7a704a63-7
0.431
MAK-UNK-c8c8f7e2-12
0.431
MAK-UNK-c8c8f7e2-16
0.424
MAK-UNK-c8c8f7e2-10
0.422
MAK-UNK-7a704a63-5
0.422
MAK-UNK-7a704a63-9
0.418
MAK-UNK-10dfa458-3
0.418
MAK-UNK-7a704a63-18
0.415
MAK-UNK-c8c8f7e2-41
0.415
DAN-PUR-19f24f0c-1
0.407
MAK-UNK-c8c8f7e2-17
0.406
MAK-UNK-10dfa458-22
0.397
MAK-UNK-7a704a63-10
0.397
AAR-POS-0daf6b7e-11
0.397
LON-WEI-8f408cad-1
0.397
MAK-UNK-7a704a63-24
0.397
MAK-UNK-c8c8f7e2-39
0.394
MAK-UNK-7a704a63-16
0.394
MAR-TRE-67513f76-4
0.386
MAR-TRE-2fd8122f-39
0.385
MAK-UNK-c8c8f7e2-18
0.380
MAK-UNK-c8c8f7e2-1
0.379
MAK-UNK-c8c8f7e2-20
0.379
MAK-UNK-c8c8f7e2-30
0.379
MAK-UNK-7a704a63-22
0.377
MAK-UNK-c8c8f7e2-2
0.373
MAK-UNK-c8c8f7e2-4
0.373
MAK-UNK-c8c8f7e2-3
0.373
MAK-UNK-7a704a63-11
0.373
MAK-UNK-c8c8f7e2-6
0.371
MAK-UNK-c8c8f7e2-34
0.368
MAR-TRE-799db12b-49
0.358
MAK-UNK-c8c8f7e2-9
0.353
MAK-UNK-7a704a63-4
0.353
MAR-TRE-799db12b-69
0.350
MAK-UNK-c8c8f7e2-5
0.347
MAK-UNK-902cc841-4
0.345
MAK-UNK-c8c8f7e2-38
0.343
MAK-UNK-c8c8f7e2-7
0.342
MAR-TRE-7f7bb9f0-54
0.342
MAK-UNK-1e8f9e3c-1
0.341
MAK-UNK-9159f8ed-6
0.341
MAK-UNK-902cc841-3
0.341
AAR-UNI-c25c2f1e-61
0.341
MAK-UNK-c8c8f7e2-36
0.338
MAK-UNK-7a704a63-19
0.338
MAR-TRE-7f7bb9f0-31
0.333
MAK-UNK-1e8f9e3c-2
0.329
MAK-UNK-1e8f9e3c-5
0.329
MAK-UNK-9159f8ed-3
0.329
MAK-UNK-1e8f9e3c-3
0.329
MAK-UNK-c8c8f7e2-32
0.329
MAK-UNK-c8c8f7e2-8
0.329
MAK-UNK-c8c8f7e2-33
0.329
MAK-UNK-10dfa458-25
0.326
MAK-UNK-7a704a63-21
0.324
MAK-UNK-c8c8f7e2-37
0.324
MAK-UNK-9159f8ed-1
0.322
MAK-UNK-c8c8f7e2-31
0.319
MAK-UNK-7a704a63-2
0.319
MAK-UNK-c8c8f7e2-14
0.319
MAK-UNK-9159f8ed-2
0.318
MAK-UNK-9159f8ed-5
0.318
MAK-UNK-c8c8f7e2-43
0.314
MAK-UNK-7a704a63-3
0.314
MAK-UNK-c8c8f7e2-13
0.314
MAK-UNK-1e8f9e3c-4
0.314
MAK-UNK-c8c8f7e2-42
0.310
MAK-UNK-1e8f9e3c-6
0.306
MAK-UNK-9159f8ed-4
0.304
MAK-UNK-9159f8ed-7
0.302
MAK-UNK-7a704a63-12
0.300
MAR-TRE-9d18ae8c-65
0.294
BAR-COM-0f94fc3d-53
0.292
MAK-UNK-10dfa458-32
0.292
MAK-UNK-c8c8f7e2-44
0.292
MAK-UNK-10dfa458-23
0.289
MAK-UNK-7a704a63-1
0.286
MAK-UNK-7a704a63-13
0.282
MAK-UNK-c8c8f7e2-26
0.282
BEN-VAN-5787f7d3-10
0.281
BEN-DND-6de5dfa0-18
0.280
MAR-TRE-a9136c7b-57
0.277
BEN-VAN-5787f7d3-12
0.277
MAK-UNK-c8c8f7e2-23
0.276
MAK-UNK-c8c8f7e2-25
0.276
BEN-VAN-5787f7d3-11
0.275
MAK-UNK-c8c8f7e2-21
0.274
BEN-DND-22e6b372-4
0.273
AAR-UNI-c25c2f1e-103
0.269
BAR-COM-4e090d3a-60
0.267
BEN-VAN-5787f7d3-6
0.264