Molecular Properties | |
SMILES: | O=C(NCCl)Nc1cccc(N2CCCC2=O)c1 |
MW: | 267.08 |
Fraction sp3: | 0.33 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 61.44 |
cLogP: | 2.13 |
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-c8c8f7e2-17
0.776
MAK-UNK-c8c8f7e2-16
0.695
LON-WEI-8f408cad-1
0.683
AAR-POS-0daf6b7e-11
0.683
MAK-UNK-7a704a63-10
0.683
MAK-UNK-6435e6c2-4
0.655
MAK-UNK-7a704a63-8
0.644
MAK-UNK-c8c8f7e2-15
0.644
MAK-UNK-7a704a63-9
0.629
MAK-UNK-10dfa458-22
0.603
MAK-UNK-10dfa458-3
0.603
MAK-UNK-1e8f9e3c-5
0.554
MAK-UNK-1e8f9e3c-3
0.554
MAK-UNK-1e8f9e3c-4
0.526
BAR-COM-4e090d3a-60
0.513
MAK-UNK-1e8f9e3c-2
0.487
MAK-UNK-9159f8ed-6
0.487
MAK-UNK-1e8f9e3c-1
0.487
MAK-UNK-902cc841-4
0.464
MAK-UNK-902cc841-3
0.463
AAR-UNI-c25c2f1e-61
0.463
MAK-UNK-10dfa458-25
0.463
MAK-UNK-c8c8f7e2-4
0.463
BAR-COM-0f94fc3d-53
0.458
MAK-UNK-c8c8f7e2-6
0.457
MAK-UNK-9159f8ed-1
0.453
MAK-UNK-9159f8ed-2
0.452
MAK-UNK-9159f8ed-5
0.452
MAK-UNK-c8c8f7e2-5
0.451
MAK-UNK-9159f8ed-4
0.448
MAK-UNK-c8c8f7e2-30
0.448
MAK-UNK-c8c8f7e2-20
0.448
MAR-TRE-2fd8122f-39
0.443
MAK-UNK-9159f8ed-3
0.438
MAK-UNK-c8c8f7e2-8
0.431
MAK-UNK-10dfa458-32
0.429
MAK-UNK-1e8f9e3c-6
0.427
MAK-UNK-c8c8f7e2-1
0.426
MAK-UNK-c8c8f7e2-7
0.425
MAK-UNK-7a704a63-11
0.420
MAK-UNK-c8c8f7e2-3
0.420
MAK-UNK-c8c8f7e2-2
0.420
MAK-UNK-c8c8f7e2-33
0.414
MAK-UNK-c8c8f7e2-14
0.406
MAK-UNK-7a704a63-2
0.406
MAK-UNK-c8c8f7e2-13
0.400
MAK-UNK-7a704a63-3
0.400
MAK-UNK-7a704a63-7
0.394
MAK-UNK-c8c8f7e2-34
0.394
MAK-UNK-c8c8f7e2-12
0.394
MAR-TRE-799db12b-69
0.390
MAK-UNK-7a704a63-18
0.380
MAK-UNK-c8c8f7e2-43
0.380
MAK-UNK-7a704a63-6
0.380
MAK-UNK-c8c8f7e2-11
0.380
MAK-UNK-c8c8f7e2-41
0.380
MAK-UNK-c8c8f7e2-42
0.375
MAK-UNK-9159f8ed-7
0.372
MAK-UNK-7a704a63-23
0.370
MAK-UNK-c8c8f7e2-40
0.366
MAK-UNK-7a704a63-20
0.366
MAK-UNK-c8c8f7e2-10
0.366
MAK-UNK-7a704a63-5
0.366
MAK-UNK-7a704a63-17
0.366
MAR-TRE-a9136c7b-57
0.366
MAK-UNK-c8c8f7e2-31
0.365
MAK-UNK-7a704a63-24
0.365
AAR-UNI-c25c2f1e-103
0.363
BAR-COM-4e090d3a-58
0.357
MAK-UNK-10dfa458-23
0.356
MAK-UNK-c8c8f7e2-32
0.355
AAR-UNI-c25c2f1e-93
0.349
MAR-TRE-799db12b-49
0.349
BAR-COM-4e090d3a-61
0.348
SWA-SYN-d2e6fa14-10
0.342
SWA-SYN-6423ea73-9
0.342
IND-SYN-6c8299e8-8
0.342
BEN-VAN-5787f7d3-11
0.341
DAV-CRI-8c8dd668-1
0.340
MAR-TRE-67513f76-4
0.338
MAR-TRE-9d18ae8c-65
0.333
BEN-VAN-5787f7d3-12
0.326
MAK-UNK-7a704a63-16
0.324
MAK-UNK-c8c8f7e2-39
0.324
MAK-UNK-c8c8f7e2-23
0.321
MAK-UNK-c8c8f7e2-25
0.321
MAK-UNK-c8c8f7e2-21
0.320
MAK-UNK-c8c8f7e2-44
0.320
MAR-TRE-7f7bb9f0-54
0.317
MAK-UNK-c8c8f7e2-37
0.316
MAK-UNK-c8c8f7e2-38
0.316
MAK-UNK-7a704a63-21
0.316
MAK-UNK-7a704a63-1
0.315
DOU-UNK-b5326f8f-9
0.312
SAD-SAT-24589cd1-2
0.312
MAK-UNK-7a704a63-22
0.312
MAK-UNK-7a704a63-12
0.311
MAK-UNK-c8c8f7e2-36
0.311
MAK-UNK-c8c8f7e2-26
0.311
MAK-UNK-7a704a63-13
0.311