Molecular Properties | |
SMILES: | CC(=O)C(CCl)c1cccc(N2CCCC2=O)c1 |
MW: | 265.09 |
Fraction sp3: | 0.43 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 37.38 |
cLogP: | 2.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Ketones
Ketone
Beta halo carbonyl
Alkyl Halide
LON-WEI-8f408cad-3
MAK-UNK-c8c8f7e2-7
0.789
MAK-UNK-c8c8f7e2-33
0.565
MAK-UNK-c8c8f7e2-34
0.565
MAK-UNK-c8c8f7e2-31
0.523
MAK-UNK-c8c8f7e2-20
0.508
MAK-UNK-c8c8f7e2-5
0.507
MAK-UNK-c8c8f7e2-32
0.507
MAK-UNK-c8c8f7e2-3
0.500
MAK-UNK-7a704a63-11
0.500
MAK-UNK-c8c8f7e2-2
0.500
MAK-UNK-c8c8f7e2-4
0.500
MAK-UNK-6435e6c2-4
0.492
MAK-UNK-c8c8f7e2-8
0.485
MAK-UNK-c8c8f7e2-1
0.484
MAR-TRE-799db12b-49
0.481
LON-WEI-8f408cad-1
0.478
MAK-UNK-7a704a63-10
0.478
AAR-POS-0daf6b7e-11
0.478
MAK-UNK-7a704a63-8
0.462
MAK-UNK-c8c8f7e2-15
0.462
MAK-UNK-c8c8f7e2-18
0.457
MAK-UNK-7a704a63-9
0.456
MAK-UNK-c8c8f7e2-17
0.443
MAK-UNK-c8c8f7e2-16
0.441
MAK-UNK-10dfa458-22
0.435
MAK-UNK-10dfa458-3
0.414
MAK-UNK-902cc841-4
0.407
MAK-UNK-1e8f9e3c-5
0.395
MAK-UNK-1e8f9e3c-3
0.395
MAK-UNK-7a704a63-18
0.391
MAK-UNK-c8c8f7e2-41
0.391
MAK-UNK-902cc841-3
0.388
MAK-UNK-c8c8f7e2-12
0.386
MAK-UNK-7a704a63-7
0.386
MAK-UNK-1e8f9e3c-6
0.386
MAR-TRE-799db12b-69
0.383
MAK-UNK-9159f8ed-3
0.378
DAV-CRI-8c8dd668-1
0.378
MAK-UNK-1e8f9e3c-4
0.376
MAK-UNK-7a704a63-24
0.375
MAK-UNK-c8c8f7e2-11
0.371
MAK-UNK-7a704a63-6
0.371
AAR-UNI-c25c2f1e-103
0.371
MAR-TRE-2fd8122f-39
0.366
DOU-UNK-b5326f8f-9
0.363
MAK-UNK-7a704a63-23
0.361
MAK-UNK-7a704a63-20
0.357
MAK-UNK-9159f8ed-6
0.357
MAK-UNK-1e8f9e3c-1
0.357
AAR-UNI-c25c2f1e-61
0.356
MAK-UNK-9159f8ed-7
0.349
MAK-UNK-1e8f9e3c-2
0.345
MAK-UNK-c8c8f7e2-40
0.338
MAK-UNK-c8c8f7e2-36
0.338
MAK-UNK-c8c8f7e2-30
0.338
MAK-UNK-7a704a63-19
0.338
MAK-UNK-7a704a63-17
0.338
MAK-UNK-9159f8ed-1
0.337
MAK-UNK-9159f8ed-2
0.333
MAK-UNK-9159f8ed-4
0.333
MAK-UNK-9159f8ed-5
0.333
MAR-TRE-67513f76-4
0.329
MAK-UNK-10dfa458-25
0.326
MAR-TRE-9d18ae8c-65
0.326
MAK-UNK-7a704a63-21
0.324
MAK-UNK-c8c8f7e2-37
0.324
MAK-UNK-c8c8f7e2-38
0.324
BEN-VAN-5787f7d3-1
0.322
MAK-UNK-10dfa458-23
0.319
BEN-VAN-5787f7d3-11
0.319
MAK-UNK-7a704a63-4
0.315
MAK-UNK-c8c8f7e2-9
0.315
MAK-UNK-7a704a63-16
0.315
MAK-UNK-c8c8f7e2-39
0.315
BEN-VAN-5787f7d3-10
0.311
BAR-COM-0f94fc3d-53
0.308
MAK-UNK-10dfa458-32
0.306
BEN-VAN-5787f7d3-12
0.305
MAK-UNK-7a704a63-22
0.303
MAK-UNK-c8c8f7e2-10
0.301
MAK-UNK-7a704a63-5
0.301
MAK-UNK-c8c8f7e2-42
0.293
MAR-TRE-7f7bb9f0-54
0.293
MAR-TRE-7f7bb9f0-31
0.287
MAR-TRE-799db12b-36
0.284
MAK-UNK-7a704a63-2
0.284
MAK-UNK-c8c8f7e2-14
0.284
MAR-TRE-799db12b-45
0.281
MAK-UNK-c8c8f7e2-43
0.280
MAK-UNK-7a704a63-3
0.280
MAK-UNK-c8c8f7e2-13
0.280
DOU-UNK-b5326f8f-7
0.280
MAR-TRE-8190bb11-90
0.279
COM-UCB-1ef4e90e-23
0.270
BAR-COM-4e090d3a-60
0.270
AAR-UNI-c25c2f1e-15
0.270
DAR-DIA-5a24bef0-16
0.267
DAR-DIA-5a24bef0-14
0.267
DAR-DIA-5a24bef0-15
0.267
ALP-POS-a3de0cb1-13
0.262