Molecular Properties | |
SMILES: | CC(=O)N(CCl)c1cccc(N2CCCC2=O)c1 |
MW: | 266.08 |
Fraction sp3: | 0.38 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 40.62 |
cLogP: | 2.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
alpha_halo_amine
alpha_halo_heteroatom
Filter52_NC_haloamine
N-C-Hal or cyano methyl
Alkyl Halide
LON-WEI-8f408cad-3
MAK-UNK-c8c8f7e2-8
0.789
MAK-UNK-c8c8f7e2-4
0.672
MAK-UNK-7a704a63-11
0.644
MAK-UNK-c8c8f7e2-2
0.644
MAK-UNK-c8c8f7e2-6
0.507
MAK-UNK-c8c8f7e2-20
0.500
MAK-UNK-c8c8f7e2-3
0.492
MAK-UNK-6435e6c2-4
0.484
MAK-UNK-c8c8f7e2-1
0.477
MAK-UNK-c8c8f7e2-7
0.471
AAR-POS-0daf6b7e-11
0.471
MAK-UNK-7a704a63-10
0.471
LON-WEI-8f408cad-1
0.471
MAK-UNK-c8c8f7e2-15
0.455
MAK-UNK-7a704a63-8
0.455
MAK-UNK-c8c8f7e2-18
0.451
MAK-UNK-7a704a63-9
0.449
MAK-UNK-c8c8f7e2-33
0.441
MAK-UNK-c8c8f7e2-17
0.437
MAK-UNK-c8c8f7e2-16
0.435
MAK-UNK-10dfa458-3
0.429
MAK-UNK-1e8f9e3c-3
0.425
MAK-UNK-1e8f9e3c-2
0.422
MAK-UNK-c8c8f7e2-34
0.420
AAR-UNI-c25c2f1e-103
0.414
MAK-UNK-10dfa458-22
0.408
MAK-UNK-1e8f9e3c-5
0.407
MAK-UNK-1e8f9e3c-6
0.398
MAK-UNK-c8c8f7e2-31
0.389
MAK-UNK-1e8f9e3c-4
0.388
MAK-UNK-7a704a63-18
0.386
MAK-UNK-c8c8f7e2-41
0.386
MAK-UNK-9159f8ed-6
0.386
MAK-UNK-1e8f9e3c-1
0.386
MAK-UNK-c8c8f7e2-12
0.380
MAK-UNK-7a704a63-7
0.380
MAK-UNK-c8c8f7e2-32
0.378
MAK-UNK-9159f8ed-3
0.373
MAK-UNK-7a704a63-24
0.370
MAK-UNK-902cc841-3
0.368
MAR-TRE-799db12b-69
0.361
MAR-TRE-2fd8122f-39
0.361
MAK-UNK-9159f8ed-7
0.360
DOU-UNK-b5326f8f-9
0.359
MAK-UNK-902cc841-4
0.356
MAR-TRE-799db12b-49
0.353
MAK-UNK-10dfa458-25
0.352
AAR-UNI-c25c2f1e-61
0.352
MAK-UNK-7a704a63-19
0.352
MAK-UNK-c8c8f7e2-36
0.352
MAK-UNK-9159f8ed-1
0.348
MAK-UNK-7a704a63-6
0.347
MAK-UNK-c8c8f7e2-11
0.347
MAK-UNK-9159f8ed-2
0.344
MAK-UNK-9159f8ed-5
0.344
MAK-UNK-9159f8ed-4
0.344
DAV-CRI-8c8dd668-1
0.344
MAK-UNK-7a704a63-23
0.338
BEN-VAN-5787f7d3-10
0.337
MAK-UNK-c8c8f7e2-40
0.333
MAK-UNK-7a704a63-20
0.333
MAK-UNK-7a704a63-17
0.333
MAK-UNK-c8c8f7e2-30
0.333
BEN-VAN-5787f7d3-1
0.333
BEN-VAN-5787f7d3-11
0.330
MAK-UNK-10dfa458-23
0.330
MAK-UNK-c8c8f7e2-37
0.320
MAK-UNK-7a704a63-21
0.320
MAK-UNK-10dfa458-32
0.316
BEN-VAN-5787f7d3-12
0.316
MAK-UNK-7a704a63-4
0.311
MAK-UNK-c8c8f7e2-9
0.311
MAR-TRE-67513f76-4
0.308
MAR-TRE-9d18ae8c-65
0.307
BAR-COM-0f94fc3d-53
0.304
MAK-UNK-c8c8f7e2-38
0.303
DOU-UNK-b5326f8f-7
0.299
MAK-UNK-7a704a63-5
0.297
MAK-UNK-c8c8f7e2-10
0.297
MAK-UNK-7a704a63-16
0.293
MAK-UNK-c8c8f7e2-39
0.293
COM-UCB-1ef4e90e-23
0.293
MAR-TRE-7f7bb9f0-54
0.289
MAR-TRE-7f7bb9f0-31
0.284
MAK-UNK-7a704a63-22
0.282
BAR-COM-4e090d3a-60
0.281
MAK-UNK-c8c8f7e2-14
0.280
MAK-UNK-7a704a63-2
0.280
MAK-UNK-c8c8f7e2-13
0.276
MAK-UNK-7a704a63-3
0.276
MAK-UNK-c8c8f7e2-43
0.276
MAK-UNK-c8c8f7e2-42
0.273
SAD-SAT-65574d3f-9
0.257
JAG-UCB-1d922829-4
0.256
SAD-SAT-5b1897b2-4
0.253
DAR-DIA-5a24bef0-17
0.250
BEN-VAN-5787f7d3-6
0.250
MAT-POS-136e7878-1
0.247
MAR-TRE-67513f76-35
0.247
DAR-DIA-5a24bef0-12
0.247