Molecular Properties | |
SMILES: | CC(=O)Nc1cccc(N2CCCC2=O)n1 |
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-7a704a63-4
1.000
MAK-UNK-c8c8f7e2-10
0.444
MAK-UNK-7a704a63-5
0.444
MAK-UNK-c8c8f7e2-36
0.422
MAK-UNK-7a704a63-19
0.422
MAK-UNK-c8c8f7e2-12
0.409
MAK-UNK-7a704a63-7
0.409
MAK-UNK-6435e6c2-4
0.406
MAK-UNK-c8c8f7e2-37
0.403
MAK-UNK-c8c8f7e2-38
0.403
MAK-UNK-7a704a63-21
0.403
MAK-UNK-7a704a63-18
0.373
MAK-UNK-c8c8f7e2-41
0.373
MAK-UNK-7a704a63-8
0.358
MAK-UNK-c8c8f7e2-15
0.358
MAK-UNK-7a704a63-22
0.357
MAK-UNK-7a704a63-24
0.357
MAK-UNK-7a704a63-16
0.353
MAK-UNK-c8c8f7e2-11
0.353
MAK-UNK-7a704a63-6
0.353
MAK-UNK-c8c8f7e2-39
0.353
MAK-UNK-c8c8f7e2-17
0.347
MAK-UNK-c8c8f7e2-16
0.343
MAK-UNK-7a704a63-23
0.343
MAK-UNK-c8c8f7e2-40
0.338
MAK-UNK-c8c8f7e2-20
0.338
MAK-UNK-7a704a63-20
0.338
MAK-UNK-c8c8f7e2-1
0.338
MAK-UNK-7a704a63-17
0.338
MAK-UNK-7a704a63-9
0.338
MAK-UNK-7a704a63-11
0.333
MAK-UNK-c8c8f7e2-3
0.333
MAK-UNK-c8c8f7e2-4
0.333
MAK-UNK-c8c8f7e2-2
0.333
MAR-TRE-67513f76-4
0.329
MAK-UNK-7a704a63-10
0.319
AAR-POS-0daf6b7e-11
0.319
LON-WEI-8f408cad-1
0.319
MAK-UNK-10dfa458-3
0.319
MAK-UNK-10dfa458-22
0.319
MAK-UNK-c8c8f7e2-30
0.319
MAK-UNK-c8c8f7e2-6
0.315
MAK-UNK-c8c8f7e2-5
0.311
MAR-TRE-799db12b-49
0.310
MAK-UNK-9159f8ed-6
0.310
MAK-UNK-1e8f9e3c-1
0.310
MAK-UNK-c8c8f7e2-18
0.307
MAR-TRE-799db12b-69
0.301
MAK-UNK-1e8f9e3c-2
0.299
MAK-UNK-1e8f9e3c-3
0.298
MAK-UNK-902cc841-3
0.295
MAK-UNK-c8c8f7e2-8
0.293
MAK-UNK-c8c8f7e2-34
0.292
MAR-TRE-7f7bb9f0-54
0.291
MAK-UNK-c8c8f7e2-7
0.289
MAR-TRE-7f7bb9f0-31
0.286
MAR-TRE-2fd8122f-39
0.286
MAK-UNK-902cc841-4
0.286
MAK-UNK-1e8f9e3c-5
0.282
MAK-UNK-9159f8ed-3
0.282
MAK-UNK-10dfa458-25
0.281
MAK-UNK-7a704a63-3
0.278
MAK-UNK-c8c8f7e2-13
0.278
MAK-UNK-c8c8f7e2-43
0.278
MAK-UNK-9159f8ed-4
0.277
MAK-UNK-1e8f9e3c-6
0.276
MAK-UNK-9159f8ed-5
0.275
MAK-UNK-9159f8ed-2
0.275
MAK-UNK-c8c8f7e2-33
0.274
MAK-UNK-9159f8ed-7
0.273
MAK-UNK-1e8f9e3c-4
0.270
AAR-UNI-c25c2f1e-15
0.267
AAR-UNI-c25c2f1e-61
0.267
MAK-UNK-c8c8f7e2-31
0.267
MAK-UNK-9159f8ed-1
0.266
MAR-TRE-9d18ae8c-65
0.264
MAK-UNK-7a704a63-2
0.264
MAK-UNK-c8c8f7e2-14
0.264
BAR-COM-0f94fc3d-53
0.264
MAR-TRE-67513f76-35
0.261
MAK-UNK-c8c8f7e2-32
0.260
MAK-UNK-c8c8f7e2-42
0.257
BEN-DND-22e6b372-4
0.256
AAR-UNI-c25c2f1e-103
0.255
MAK-UNK-10dfa458-32
0.253
DOU-UNK-b5326f8f-9
0.250
MAR-TRE-9d18ae8c-58
0.250
BEN-VAN-5787f7d3-1
0.250
ERI-BAS-bd3ef700-1
0.248
MAK-UNK-10dfa458-23
0.247
MAK-UNK-7a704a63-12
0.247
MAR-TRE-67513f76-74
0.240
MAK-UNK-c8c8f7e2-44
0.240
JAG-UCB-a3ef7265-14
0.240
BAR-COM-4e090d3a-61
0.239
BEN-VAN-5787f7d3-10
0.239
AAR-UNI-c25c2f1e-93
0.236
BEN-DND-22e6b372-3
0.235
BEN-VAN-5787f7d3-11
0.234
MAK-UNK-c8c8f7e2-19
0.233