Molecular Properties | |
SMILES: | CC(=O)Nc1cc(N2CCCC2=O)ccn1 |
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-c8c8f7e2-12
1.000
MAK-UNK-6435e6c2-4
0.492
MAK-UNK-7a704a63-18
0.476
MAK-UNK-c8c8f7e2-41
0.476
MAK-UNK-7a704a63-5
0.460
MAK-UNK-c8c8f7e2-15
0.460
MAK-UNK-c8c8f7e2-10
0.460
MAK-UNK-7a704a63-8
0.460
MAK-UNK-7a704a63-24
0.455
MAK-UNK-c8c8f7e2-3
0.431
MAK-UNK-7a704a63-6
0.431
MAK-UNK-c8c8f7e2-11
0.431
MAR-TRE-67513f76-4
0.420
MAK-UNK-c8c8f7e2-17
0.420
MAK-UNK-7a704a63-23
0.418
MAK-UNK-c8c8f7e2-16
0.418
MAK-UNK-c8c8f7e2-1
0.415
MAK-UNK-c8c8f7e2-40
0.415
MAK-UNK-7a704a63-17
0.415
MAK-UNK-7a704a63-20
0.415
MAK-UNK-c8c8f7e2-20
0.415
MAK-UNK-10dfa458-22
0.412
MAK-UNK-7a704a63-9
0.412
MAK-UNK-7a704a63-11
0.409
MAK-UNK-c8c8f7e2-9
0.409
MAK-UNK-7a704a63-4
0.409
MAK-UNK-c8c8f7e2-2
0.409
MAK-UNK-c8c8f7e2-4
0.409
MAK-UNK-c8c8f7e2-18
0.394
MAK-UNK-7a704a63-10
0.391
LON-WEI-8f408cad-1
0.391
AAR-POS-0daf6b7e-11
0.391
MAK-UNK-10dfa458-3
0.391
MAK-UNK-c8c8f7e2-6
0.386
MAK-UNK-c8c8f7e2-34
0.382
MAK-UNK-c8c8f7e2-5
0.380
MAR-TRE-7f7bb9f0-54
0.373
MAK-UNK-7a704a63-16
0.368
MAK-UNK-c8c8f7e2-39
0.368
MAR-TRE-7f7bb9f0-31
0.362
MAR-TRE-2fd8122f-39
0.362
MAK-UNK-c8c8f7e2-33
0.362
MAK-UNK-c8c8f7e2-8
0.361
MAK-UNK-c8c8f7e2-7
0.356
MAK-UNK-7a704a63-19
0.353
MAK-UNK-c8c8f7e2-36
0.353
MAK-UNK-7a704a63-22
0.352
MAK-UNK-c8c8f7e2-32
0.342
MAK-UNK-1e8f9e3c-3
0.341
MAK-UNK-7a704a63-21
0.338
MAK-UNK-c8c8f7e2-37
0.338
MAK-UNK-c8c8f7e2-38
0.338
MAK-UNK-1e8f9e3c-1
0.337
MAK-UNK-9159f8ed-6
0.337
MAR-TRE-799db12b-49
0.337
MAK-UNK-902cc841-3
0.337
AAR-UNI-c25c2f1e-61
0.337
MAK-UNK-c8c8f7e2-31
0.333
MAK-UNK-c8c8f7e2-30
0.333
MAK-UNK-9159f8ed-4
0.330
BEN-VAN-5787f7d3-11
0.330
MAR-TRE-799db12b-69
0.329
MAK-UNK-902cc841-4
0.326
MAK-UNK-1e8f9e3c-2
0.326
MAK-UNK-1e8f9e3c-4
0.326
MAK-UNK-9159f8ed-3
0.325
MAK-UNK-1e8f9e3c-5
0.325
MAK-UNK-10dfa458-25
0.322
MAK-UNK-1e8f9e3c-6
0.318
MAK-UNK-10dfa458-32
0.316
BEN-VAN-5787f7d3-12
0.315
MAK-UNK-9159f8ed-2
0.315
MAK-UNK-9159f8ed-5
0.315
MAK-UNK-9159f8ed-7
0.314
LON-WEI-120e5cf5-13
0.312
BEN-VAN-5787f7d3-10
0.307
COM-UCB-1ef4e90e-23
0.305
MAK-UNK-9159f8ed-1
0.304
BAR-COM-0f94fc3d-53
0.303
DOU-UNK-b5326f8f-9
0.301
MAK-UNK-10dfa458-23
0.300
MAK-UNK-c8c8f7e2-14
0.296
MAK-UNK-7a704a63-2
0.296
AAR-UNI-c25c2f1e-103
0.293
BEN-VAN-5787f7d3-1
0.289
MAR-TRE-9d18ae8c-65
0.276
BEN-VAN-5787f7d3-6
0.275
MAK-UNK-7a704a63-3
0.274
MAK-UNK-c8c8f7e2-43
0.274
MAK-UNK-c8c8f7e2-13
0.274
MAR-TRE-67513f76-35
0.273
MAK-UNK-c8c8f7e2-21
0.270
MAK-UNK-c8c8f7e2-42
0.270
BAR-COM-4e090d3a-60
0.264
BEN-VAN-5787f7d3-7
0.263
DAV-CRI-8c8dd668-1
0.260
DOU-UNK-b5326f8f-7
0.254
BEN-DND-22e6b372-4
0.253
AAR-UNI-c25c2f1e-15
0.250
MAK-UNK-7a704a63-1
0.247